SCHEMBL4976403

SCHEMBL4976403

CCOC(=O)C(Cc1ccccc1Cl)CN1CCC2(CC1)C(=O)N(C)c1ccccc12

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 15/20 0.46
OPRM1 P35372 2/20 0.46
OPRK1 P41145 2/20 0.46
EPHX2 P34913 1/20 0.41
ALDH1A1 P00352 1/20 0.41
EGLN1 Q9GZT9 1/20 0.39
C5AR1 P21730 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
SCHEMBL4976407 1.00 OPRL1 (0.46) OPRL1OPRM1OPRK1EPHX2ALDH1A1
SCHEMBL4981201 0.89 OPRL1 (0.49) OPRL1OPRM1OPRK1EGLN1C5AR1
SCHEMBL4981204 0.89 OPRL1 (0.49) OPRL1OPRM1OPRK1EGLN1C5AR1
SCHEMBL4981238 0.88 OPRL1 (0.48) OPRL1OPRM1OPRK1EPHX2ALDH1A1
SCHEMBL4981231 0.88 OPRL1 (0.48) OPRL1OPRM1OPRK1EPHX2ALDH1A1
SCHEMBL4975929 0.87 OPRL1 (0.55) OPRL1OPRM1OPRK1EGLN1C5AR1
SCHEMBL4975924 0.87 OPRL1 (0.55) OPRL1OPRM1OPRK1EGLN1C5AR1
SCHEMBL5410979 0.85 OPRL1 (0.39) OPRL1OPRM1OPRK1EGLN1C5AR1
SCHEMBL5410985 0.85 OPRL1 (0.39) OPRL1OPRM1OPRK1EGLN1C5AR1
SCHEMBL27167028 0.80 ALDH1A1 (0.52) OPRL1EPHX2ALDH1A1

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-1732893-A2 ALPHA ARYL OR HETEROARYL METHYL BETA PIPERIDINO PROPANAMIDE COMPOUNDS AS ORL1-RECEPTOR ANTAGONIST Pfizer Japan, Inc. (JP) 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-2005092858-A2 ALPHA ARYL OR HETEROARYL METHYL BETA PIPERIDINO PROPANAMIDE COMPOUNDS AS ORL1-RECEPTOR ANTAGONIST 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 OPRL1 1/4885OPRM1 7/4885OPRK1 6/4885
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 OPRL1 1/4885OPRM1 5/4885OPRK1 3/4885

“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.