SCHEMBL4975141

SCHEMBL4975141

CC(C)(C)OC(=O)C(Cc1c(Cl)ccc(O)c1F)CN1CCC2(CC1)OCc1ccccc12

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 3/20 0.39
OPRL1 P41146 3/20 0.39
SIGMAR1 Q99720 1/20 0.38
ADRA1A P35348 1/20 0.38
MCHR1 Q99705 1/20 0.38
S1PR5 Q9H228 1/20 0.38

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
SCHEMBL4975143 1.00 AVPR1A (0.39) AVPR1AOPRL1SIGMAR1ADRA1AMCHR1
SCHEMBL4980122 0.92 ADRA1A (0.42) AVPR1AOPRL1ADRA1AMCHR1
SCHEMBL4980119 0.92 ADRA1A (0.42) AVPR1AOPRL1ADRA1AMCHR1
SCHEMBL4979547 0.88 OPRL1 (0.38) AVPR1AOPRL1SIGMAR1S1PR5
SCHEMBL4981665 0.88 OPRL1 (0.44) OPRL1SIGMAR1ADRA1AMCHR1S1PR5
SCHEMBL4981670 0.88 OPRL1 (0.44) OPRL1SIGMAR1ADRA1AMCHR1S1PR5
SCHEMBL4976515 0.86 OPRL1 (0.53) AVPR1AOPRL1ADRA1AMCHR1
SCHEMBL4976518 0.86 OPRL1 (0.53) AVPR1AOPRL1ADRA1AMCHR1
SCHEMBL4982649 0.86 ADRA1A (0.43) AVPR1AOPRL1ADRA1AMCHR1
Trifluoroacetic Acid SCHEMBL4979538 0.85 OPRL1 (0.43) AVPR1AOPRL1SIGMAR1ADRA1AMCHR1

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 6 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
EP-1732928-A2 ALPHA ARYL OR HETEROARYL METHYL BETA PIPERIDINO PROPANOIC ACID COMPOUNDS AS ORL1-RECEPTOR ANTAGONISTS Pfizer, Inc. (US) 2006-12-20 EP 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
WO-2005092895-A2 ALPHA ARYL OR HETEROARYL METHYL BETA PIPERIDINO PROPANOIC ACID COMPOUNDS AS ORL1-RECEPTOR ANTAGONISTS PFIZER JAPAN INC. (JP) 2005-10-06 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-20050277659-A1 Alpha aryl or heteroaryl methyl beta piperidino propanoic acid compounds as ORL1-receptor antagonists OPRL1, OGFRL1, ORMDL3 AVPR1A 609/4885OPRL1 1/4885SIGMAR1 10/4885
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 1/4885SIGMAR1 26/4885

“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.