SCHEMBL2899233

SCHEMBL2899233

Oc1ccc(Cc2ccc(-c3nc(CC4CCN(C5CCCC5)CC4)no3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP7 Q93009 2/20 0.41
ERCC1 P07992 1/20 0.38
ERCC4 Q92889 1/20 0.38
NPC1 O15118 2/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
MAPT P10636 2/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
S1PR4 O95977 3/20 0.36
S1PR1 P21453 3/20 0.36
S1PR5 Q9H228 3/20 0.36
S1PR3 Q99500 2/20 0.36
KDM2B Q8NHM5 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
HDAC6 Q9UBN7 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35

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
SCHEMBL2896686 0.85 S1PR1 (0.38) NPC1HTTRAB9AS1PR4S1PR1
SCHEMBL2901979 0.85 SPHK1 (0.38) NPC1HTTRAB9AMAPTMAPK1
Hydrochloric Acid SCHEMBL3832840 0.84 SPHK1 (0.37) NPC1HTTRAB9AMAPTMAPK1
SCHEMBL2901983 0.83 SPHK2 (0.37) NPC1RAB9AMAPTS1PR4S1PR1
SCHEMBL2902042 0.83 RAB9A (0.48) NPC1HTTRAB9AMAPTMAPK1
SCHEMBL2900433 0.83 S1PR1 (0.44) NPC1RAB9AL3MBTL1S1PR4S1PR1
SCHEMBL2901513 0.83 S1PR1 (0.40) MAPTMAPK1L3MBTL1S1PR4S1PR1
Hydrochloric Acid SCHEMBL3833619 0.82 RAB9A (0.47) NPC1HTTRAB9AMAPTMAPK1
Hydrochloric Acid SCHEMBL3833288 0.82 S1PR1 (0.44) NPC1RAB9AL3MBTL1S1PR4S1PR1
Hydrochloric Acid SCHEMBL3831701 0.82 S1PR1 (0.40) MAPTMAPK1L3MBTL1S1PR4S1PR1

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 8 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
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-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 USP7 2266/4885ERCC1 4780/4885ERCC4 4881/4885
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 USP7 2922/4885ERCC1 4621/4885ERCC4 4866/4885

“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.