SCHEMBL2901513

SCHEMBL2901513

CN(C)Cc1ccc(-c2nc(CC3CCN(C4CCCC4)CC3)no2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.40
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 2/20 0.38
OPRL1 P41146 1/20 0.38
CHRM2 P08172 2/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
HRH3 Q9Y5N1 2/20 0.36
DAGLB Q8NCG7 1/20 0.36
DAGLA Q9Y4D2 1/20 0.36
TLR9 Q9NR96 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
FASN P49327 1/20 0.35
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
Hydrochloric Acid SCHEMBL3831701 0.99 S1PR1 (0.40) S1PR1ALDH1A1KDM4EOPRL1CHRM2
SCHEMBL2896686 0.85 S1PR1 (0.38) S1PR1ALDH1A1HRH3S1PR4S1PR3
SCHEMBL2901979 0.85 SPHK1 (0.38) S1PR1ALDH1A1KDM4ECHRM2CHRM4
Hydrochloric Acid SCHEMBL3832840 0.84 SPHK1 (0.37) S1PR1ALDH1A1KDM4ECHRM2CHRM4
SCHEMBL2901983 0.83 SPHK2 (0.37) S1PR1ALDH1A1KDM4EHRH3MAPT
SCHEMBL2902042 0.83 RAB9A (0.48) S1PR1ALDH1A1KDM4EMAPTMAPK1
SCHEMBL2899233 0.83 USP7 (0.41) S1PR1CHRM2CHRM4CHRM5CHRM1
SCHEMBL2900433 0.83 S1PR1 (0.44) S1PR1ALDH1A1KDM4EHRH3L3MBTL1
SCHEMBL2899356 0.82 MAPT (0.48) S1PR1ALDH1A1KDM4EHRH3TLR9
Hydrochloric Acid SCHEMBL3833619 0.82 RAB9A (0.47) S1PR1ALDH1A1KDM4EMAPTMAPK1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1585515-B1 PIPERIDINE AND PYRROLIDINE DERIVATIVES AS ANTAGONISTS OF HISTAMINE H3 RECEPTOR HIGH POINT PHARMACEUTICALS LLC (US) 2009-09-16 EP claimed
US-7799924-B2 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 HIGH POINT PHARMACEUTICALS, LLC (US) 2010-09-21 US disclosed
US-7799924-B2 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 HIGH POINT PHARMACEUTICALS, LLC (US) 2010-09-21 US disclosed
US-7799924-B2 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 HIGH POINT PHARMACEUTICALS, LLC (US) 2010-09-21 US disclosed
EP-1585515-B1 PIPERIDINE AND PYRROLIDINE DERIVATIVES AS ANTAGONISTS OF HISTAMINE H3 RECEPTOR HIGH POINT PHARMACEUTICALS LLC (US) 2009-09-16 EP disclosed
EP-1585515-B1 PIPERIDINE AND PYRROLIDINE DERIVATIVES AS ANTAGONISTS OF HISTAMINE H3 RECEPTOR HIGH POINT PHARMACEUTICALS LLC (US) 2009-09-16 EP 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-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
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 (2 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-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 S1PR1 234/4885ALDH1A1 2259/4885KDM4E 1219/4885
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 S1PR1 332/4885ALDH1A1 1617/4885KDM4E 854/4885

“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.