SCHEMBL104775

SCHEMBL104775

CC(C)N1CCC(C#N)CC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.43
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
NSD2 O96028 3/20 0.34
CYP2D6 P10635 1/20 0.32
KCNH2 Q12809 1/20 0.32
CHRNA7 P36544 1/20 0.32
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
KDM1A O60341 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
BLM P54132 1/20 0.32
KMT2A Q03164 1/20 0.32
DPP4 P27487 1/20 0.32
MGLL Q99685 1/20 0.30
EGLN2 Q96KS0 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL24733233 0.91 HRH3 (0.39) HRH3KDM4EALDH1A1NSD2DRD2
SCHEMBL2737400 0.89 HRH3 (0.40) HRH3KDM4EALDH1A1NSD2CYP2D6
SCHEMBL2737387 0.89 HRH3 (0.40) HRH3KDM4EALDH1A1NSD2CYP2D6
SCHEMBL2737416 0.89 HRH3 (0.40) HRH3KDM4EALDH1A1NSD2CYP2D6
SCHEMBL24854280 0.82 HRH3 (0.40) HRH3KDM4EALDH1A1DRD2DRD3
SCHEMBL24854984 0.82 KDM4E (0.34) HRH3KDM4EALDH1A1DRD2DRD3
SCHEMBL24734672 0.79 HRH3 (0.37) HRH3NSD2CYP2D6KCNH2CHRNA7
SCHEMBL25784008 0.79 HRH3 (0.37) HRH3NSD2CYP2D6KCNH2CHRNA7
SCHEMBL24733232 0.79 HRH3 (0.37) HRH3NSD2CYP2D6KCNH2CHRNA7
SCHEMBL19195108 0.78 HRH3 (0.40) HRH3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 130 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109311889-A Activin receptor-like kinase inhibitors 蓝图药品公司 2019-02-05 CN claimed
EP-4289835-A1 CDK INHIBITOR Shanghai Qilu Pharmaceutical Research and Development Centre Ltd. (CN) 2023-12-13 EP disclosed
US-20230348452-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. 2023-11-02 US disclosed
EP-3647311-B1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO LTD (CN) 2023-11-01 EP disclosed
US-11795170-B2 Therapeutic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2023-10-24 US disclosed
US-11773102-B2 Heterocyclic compounds as PI3K-γ inhibitors INCYTE CORPORATION (US) 2023-10-03 US disclosed
US-20230265091-A1 COMPOUNDS WHICH INHIBIT RNA POLYMERASE LIEBER INSTITUTE, INC. 2023-08-24 US disclosed
US-11649241-B2 Pyrazolochlorophenyl compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2023-05-16 US disclosed
US-20230112485-A1 THERAPEUTIC COMPOUNDS GENENTECH, INC. (US) 2023-04-13 US disclosed
US-20230105212-A1 BIPHENYL DERIVATIVE INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI HANSOH BIOMEDICAL CO., LTD. (CN) 2023-04-06 US disclosed
US-20080113995-A1 1-Cyclopentyl-4-{2-[5-(4-methanesulfonylphenyl)[1,2,4]oxadiazol-3-yl]ethyl}piperidine; histamine-H3 receptor antagonist or inverse agonist; nervous system, cardiovascular , respiratory system, gastrointestinal system and endocrinological system disorders NOVO NORDISK A/S (DK) 2008-05-15 US disclosed
US-20080113995-A1 1-Cyclopentyl-4-{2-[5-(4-methanesulfonylphenyl)[1,2,4]oxadiazol-3-yl]ethyl}piperidine; histamine-H3 receptor antagonist or inverse agonist; nervous system, cardiovascular , respiratory system, gastrointestinal system and endocrinological system disorders NOVO NORDISK A/S (DK) 2008-05-15 US disclosed
US-7332508-B2 heterocyclic amines such as 1-Cyclopentyl-4-{2-[5-(4-methanesulfonylphenyl)[1,2,4]oxadiazol-3-yl]ethyl}piperidine and salts, used as histamine-H3 receptor antagonists for treatment of nervous system, cardiovascular , respiratory system, gastrointestinal system and endocrinological system disorders NOVO NORDISK A/S (DK) 2008-02-19 US disclosed
US-7332508-B2 heterocyclic amines such as 1-Cyclopentyl-4-{2-[5-(4-methanesulfonylphenyl)[1,2,4]oxadiazol-3-yl]ethyl}piperidine and salts, used as histamine-H3 receptor antagonists for treatment of nervous system, cardiovascular , respiratory system, gastrointestinal system and endocrinological system disorders NOVO NORDISK A/S (DK) 2008-02-19 US disclosed
US-7332508-B2 heterocyclic amines such as 1-Cyclopentyl-4-{2-[5-(4-methanesulfonylphenyl)[1,2,4]oxadiazol-3-yl]ethyl}piperidine and salts, used as histamine-H3 receptor antagonists for treatment of nervous system, cardiovascular , respiratory system, gastrointestinal system and endocrinological system disorders NOVO NORDISK A/S (DK) 2008-02-19 US disclosed
US-20070238728-A1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS S.A. (CH) 2007-10-11 US disclosed
US-20070232608-A1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS S.A. (CH) 2007-10-04 US disclosed
EP-1585515-A2 PIPERIDINE AND PYRROLIDINE DERIVATIVES AS ANTAGONISTS OF HISTAMINE H3 RECEPTOR NOVO NORDISK A/S (DK) 2005-10-19 EP disclosed
US-20050107434-A1 heterocyclic amines such as 1-Cyclopentyl-4-{2-[5-(4-methanesulfonylphenyl)[1,2,4]oxadiazol-3-yl]ethyl}piperidine and salts, used as histamine-H3 receptor antagonists for treatment of nervous system, cardiovascular , respiratory system, gastrointestinal system and endocrinological system disorders VTVX HOLDINGS II LLC 2005-05-19 US disclosed
WO-2004054973-A2 PIPERIDINE AND PYRROLIDINE DERIVATIVES AS ANTAGONISTS OF HISTAMINE H3 RECEPTOR NOVO NORDISK A/S (DK) 2004-07-01 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11773102-B2 Heterocyclic compounds as PI3K-γ inhibitors PIK3CD, PIK3CG, PIK3R5 HRH3 4034/4885KDM4E 3824/4885ALDH1A1 2699/4885
US-20230112485-A1 THERAPEUTIC COMPOUNDS BRDT, BRPF3, SNRPE HRH3 2384/4885KDM4E 3145/4885ALDH1A1 4242/4885
US-11795170-B2 Therapeutic compounds, compositions and methods of use thereof JAK2, JAK1, JAK3 HRH3 2765/4885KDM4E 1725/4885ALDH1A1 1817/4885
US-20070232608-A1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM DPP4, DPP3, DPP7 HRH3 3805/4885KDM4E 590/4885ALDH1A1 1040/4885
US-20230348452-A1 COMPOUNDS AND USES THEREOF VHL, CLN6, BRCA1 HRH3 3051/4885KDM4E 2184/4885ALDH1A1 2600/4885
US-20070238728-A1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM DPP4, DPP3, DPP7 HRH3 3805/4885KDM4E 590/4885ALDH1A1 1040/4885
US-20230265091-A1 COMPOUNDS WHICH INHIBIT RNA POLYMERASE POLR2E, POLR2H, POLRMT HRH3 3663/4885KDM4E 3290/4885ALDH1A1 1743/4885
US-11649241-B2 Pyrazolochlorophenyl compounds, compositions and methods of use thereof JAK1, JAK2, JAK3 HRH3 3595/4885KDM4E 834/4885ALDH1A1 1102/4885
US-20080113995-A1 1-Cyclopentyl-4-{2-[5-(4-methanesulfonylphenyl)[1,2,4]oxadiazol-3-yl]ethyl}piperidine; histamine-H3 receptor antagonist or inverse agonist; nervous system, cardiovascular , respiratory system, gastrointestinal system and endocrinological system disorders HRH3, HRH4, HRH2 HRH3 1/4885KDM4E 1219/4885ALDH1A1 2259/4885
US-20230105212-A1 BIPHENYL DERIVATIVE INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF CYP51A1, TMBIM6, CYP46A1 HRH3 4061/4885KDM4E 1845/4885ALDH1A1 502/4885
US-20050107434-A1 heterocyclic amines such as 1-Cyclopentyl-4-{2-[5-(4-methanesulfonylphenyl)[1,2,4]oxadiazol-3-yl]ethyl}piperidine and salts, used as histamine-H3 receptor antagonists for treatment of nervous system, cardiovascular , respiratory system, gastrointestinal system and endocrinological system disorders HRH4, HRH3, HRH2 HRH3 2/4885KDM4E 854/4885ALDH1A1 1617/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.