SCHEMBL4976519

SCHEMBL4976519

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

nearest known ligand 0.75

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 15/20 0.75
MCHR1 Q99705 4/20 0.42
ADRA1A P35348 3/20 0.42

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
SCHEMBL4976516 1.00 OPRL1 (0.75) OPRL1MCHR1ADRA1A
Citric Acid SCHEMBL4975810 0.92 OPRL1 (0.65) OPRL1MCHR1ADRA1A
Citric Acid SCHEMBL4975814 0.92 OPRL1 (0.65) OPRL1MCHR1ADRA1A
SCHEMBL4979879 0.91 OPRL1 (0.63) OPRL1MCHR1ADRA1A
SCHEMBL4979881 0.91 OPRL1 (0.63) OPRL1MCHR1ADRA1A
SCHEMBL4981304 0.90 OPRL1 (0.61) OPRL1MCHR1ADRA1A
SCHEMBL4981308 0.90 OPRL1 (0.61) OPRL1MCHR1ADRA1A
SCHEMBL4974650 0.90 OPRL1 (0.61) OPRL1MCHR1ADRA1A
SCHEMBL4974652 0.90 OPRL1 (0.61) OPRL1MCHR1ADRA1A
SCHEMBL4977624 0.89 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 9 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 claimed
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 claimed
EP-1732893-A2 ALPHA ARYL OR HETEROARYL METHYL BETA PIPERIDINO PROPANAMIDE COMPOUNDS AS ORL1-RECEPTOR ANTAGONIST Pfizer Japan, Inc. (JP) 2006-12-20 EP claimed
WO-2005092858-A2 ALPHA ARYL OR HETEROARYL METHYL BETA PIPERIDINO PROPANAMIDE COMPOUNDS AS ORL1-RECEPTOR ANTAGONIST PFIZER JAPAN INC. (JP) 2005-10-06 WO claimed
EP-1478668-B1 THIOL COMPOUND, PHOTOPOLYMERIZATION INITIATOR COMPOSITION AND PHOTOSENSITIVE COMPOSITION SHOWA DENKO KK (JP) 2013-04-10 EP disclosed
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-7341828-B2 Thiol compound, photopolymerization initiator composition and photosensitive composition SHOWA DENKO K.K. (JP) 2008-03-11 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-20050153231-A1 Thiol compound, photopolymerization initiator composition and photosensitive composition SHOWA DENKO K.K. (JP) 2005-07-14 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 (1 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-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 1007/4885ADRA1A 121/4885

“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.