SCHEMBL4978064

SCHEMBL4978064

CCOC(=O)C(Cc1ccccn1)CN1CCC2(CC1)OCc1ccc(F)cc12

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 4/20 0.59
MCHR1 Q99705 4/20 0.39
CCR1 P32246 1/20 0.38
POLB P06746 1/20 0.38
ADRA1A P35348 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
AVPR1A P37288 1/20 0.37
OPRM1 P35372 2/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL4978069 1.00 OPRL1 (0.59) OPRL1MCHR1CCR1POLBADRA1A
SCHEMBL4981308 0.89 OPRL1 (0.61) OPRL1MCHR1CCR1ADRA1AKDM4E
SCHEMBL4981304 0.89 OPRL1 (0.61) OPRL1MCHR1CCR1ADRA1AKDM4E
SCHEMBL4976519 0.88 OPRL1 (0.75) OPRL1MCHR1ADRA1A
SCHEMBL4976516 0.88 OPRL1 (0.75) OPRL1MCHR1ADRA1A
SCHEMBL4981485 0.87 OPRL1 (0.59) OPRL1MCHR1CCR1
SCHEMBL4981236 0.87 OPRL1 (0.59) OPRL1MCHR1CCR1
SCHEMBL4979881 0.85 OPRL1 (0.63) OPRL1MCHR1ADRA1A
SCHEMBL4979879 0.85 OPRL1 (0.63) OPRL1MCHR1ADRA1A
SCHEMBL4977624 0.84 OPRL1 (0.60) OPRL1MCHR1ADRA1A

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 1/4885MCHR1 541/4885CCR1 341/4885
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 1/4885MCHR1 1007/4885CCR1 1556/4885

“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.