SCHEMBL3620583

SCHEMBL3620583

CCC(c1ccccc1)(c1ccccc1)N1CCC(n2c(=O)n(C(C)=O)c3ccccc32)CC1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 1/20 0.41
OPRL1 P41146 12/20 0.39
OPRM1 P35372 6/20 0.39
OPRK1 P41145 1/20 0.39
C5AR1 P21730 1/20 0.38
CACNA1G O43497 1/20 0.37
CACNA1H O95180 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
SCHEMBL13437101 0.76 OPRL1 (0.50) OPRL1OPRM1OPRK1
SCHEMBL3604592 0.75 CACNA1G (0.58) HTR4OPRL1OPRM1CACNA1GCACNA1H
SCHEMBL3612375 0.74 OPRM1 (0.61) OPRL1OPRM1OPRK1
SCHEMBL4865936 0.73 OPRL1 (0.54) HTR4OPRL1OPRM1OPRK1
SCHEMBL3615399 0.73 DRD2 (0.51) OPRL1OPRM1OPRK1C5AR1
SCHEMBL3617803 0.73 OPRL1 (0.68) OPRL1OPRM1OPRK1
Hydrochloric Acid SCHEMBL11033286 0.72 HTR4 (0.45) HTR4OPRL1OPRM1
SCHEMBL4865933 0.72 OPRL1 (0.49) HTR4OPRL1OPRM1OPRK1
SCHEMBL3615787 0.72 OPRL1 (0.68) OPRL1OPRM1
SCHEMBL7488253 0.70 GRIN2D (0.46) OPRL1OPRM1OPRK1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020128288-A1 Useful in the treatment of chronic and acute pain. PURDUE PHARMA L.P. 2002-09-12 US claimed
US-7678809-B2 Benzimidazole compounds having nociceptin receptor affinity PURDUE PHARMA L.P. (US) 2010-03-16 US disclosed
US-7456198-B2 Useful in the treatment of chronic and acute pain. PURDUE PHARMA L.P. (US) 2008-11-25 US disclosed
US-20060264638-A1 Benzimidazole compounds having nociceptin receptor affinity EURO-CELTIQUE S.A. (LU) 2006-11-23 US disclosed
US-20020128288-A1 Useful in the treatment of chronic and acute pain. PURDUE PHARMA L.P. 2002-09-12 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-20060264638-A1 Benzimidazole compounds having nociceptin receptor affinity OPRL1, OPRK1, OGFRL1 HTR4 730/4885OPRL1 1/4885OPRM1 5/4885
US-20020128288-A1 Useful in the treatment of chronic and acute pain. OPRL1, OGFRL1, OPRK1 HTR4 840/4885OPRL1 1/4885OPRM1 5/4885

“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.