SCHEMBL4979817

SCHEMBL4979817

CCOC(=O)C(CN1CCC2(CC1)OCc1ccc(F)cc12)Cn1cccn1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 4/20 0.52
POLB P06746 1/20 0.44
HTT P42858 1/20 0.44
MCHR1 Q99705 9/20 0.40
MAPT P10636 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
NLRP3 Q96P20 1/20 0.37
ADRA1A P35348 1/20 0.37

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
SCHEMBL4980157 0.92 OPRL1 (0.55) OPRL1POLBHTTNLRP3
SCHEMBL4981222 0.89 OPRL1 (0.53) OPRL1POLBHTTMCHR1ADRA1A
SCHEMBL4977771 0.88 OPRL1 (0.65) OPRL1MCHR1ADRA1A
SCHEMBL4975908 0.86 OPRL1 (0.50) OPRL1POLBHTTMCHR1ADRA1A
SCHEMBL4976160 0.85 OPRL1 (0.56) OPRL1MCHR1OPRM1OPRD1ADRA1A
SCHEMBL4976730 0.84 OPRL1 (0.54) OPRL1MCHR1ADRA1A
SCHEMBL4898569 0.84 OPRL1 (0.36) OPRL1POLBHTTMCHR1MAPT
SCHEMBL4977585 0.84 OPRL1 (0.52) OPRL1MCHR1ADRA1A
SCHEMBL4978064 0.83 OPRL1 (0.59) OPRL1POLBMCHR1OPRM1OPRD1
SCHEMBL4978069 0.83 OPRL1 (0.59) OPRL1POLBMCHR1OPRM1OPRD1

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 OPRL1 1/4885POLB 2739/4885HTT 3729/4885
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 1/4885POLB 3498/4885HTT 2120/4885

“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.