SCHEMBL4977745

SCHEMBL4977745

Cc1ccccc1CC(CN1CCC2(CC1)OCc1ccccc12)C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 3/20 0.43
OPRL1 P41146 2/20 0.43
OPRM1 P35372 2/20 0.42
KCNH2 Q12809 2/20 0.42
OPRK1 P41145 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
SIGMAR1 Q99720 1/20 0.41

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
SCHEMBL4977740 1.00 AVPR1A (0.43) AVPR1AOPRL1OPRM1KCNH2OPRK1
SCHEMBL4983395 0.90 OPRL1 (0.48) AVPR1AOPRL1
SCHEMBL4975800 0.90 OPRL1 (0.48) OPRL1
SCHEMBL4983390 0.90 OPRL1 (0.48) AVPR1AOPRL1
SCHEMBL4975803 0.90 OPRL1 (0.48) OPRL1
SCHEMBL4976565 0.89 AVPR1A (0.42) AVPR1AOPRL1HRH3
SCHEMBL4976562 0.89 AVPR1A (0.42) AVPR1AOPRL1HRH3
SCHEMBL4974513 0.89 AVPR1A (0.41) AVPR1AOPRL1OPRM1KCNH2OPRK1
SCHEMBL4979504 0.88 OPRL1 (0.53) AVPR1AOPRL1SIGMAR1
SCHEMBL4981008 0.88 AVPR1A (0.42) AVPR1AOPRL1OPRM1KCNH2OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7354925-B2 Alpha aryl or heteroaryl methyl beta piperidino propanamide compounds as ORL1-receptor antagonists PFIZER INC. (US) 2008-04-08 US disclosed
US-7279486-B2 Alpha aryl or heteroaryl methyl beta piperidino propanoic acid compounds as ORL1-receptor antagonists PFIZER INC. (US) 2007-10-09 US disclosed
US-20070197500-A1 3-(2,3-Dihydro-1'H-spiro[indene-1,4'-piperidin]-1'-yl)-N,N-dimethyl-2-(pyridin-2-ylmethyl)propanamide; opioid receptor-like 1 antagonist; reduced inhibitory activity at HERG potassium channel; analgesic; side effect reduction; neurpathic and other pain PFIZER, INC. 2007-08-23 US disclosed
US-20050277659-A1 Alpha aryl or heteroaryl methyl beta piperidino propanoic acid compounds as ORL1-receptor antagonists PFIZER JAPAN INC. (JP) 2005-12-15 US 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-20050277659-A1 Alpha aryl or heteroaryl methyl beta piperidino propanoic acid compounds as ORL1-receptor antagonists OPRL1, OGFRL1, ORMDL3 AVPR1A 609/4885OPRL1 1/4885OPRM1 7/4885
US-20070197500-A1 3-(2,3-Dihydro-1'H-spiro[indene-1,4'-piperidin]-1'-yl)-N,N-dimethyl-2-(pyridin-2-ylmethyl)propanamide; opioid receptor-like 1 antagonist; reduced inhibitory activity at HERG potassium channel; analgesic; side effect reduction; neurpathic and other pain OPRL1, OPRD1, OPRK1 AVPR1A 476/4885OPRL1 1/4885OPRM1 5/4885

“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.