SCHEMBL3615787

SCHEMBL3615787

CC(=O)n1c(=O)n(C2CCN(Cc3ccc4ccccc4c3)CC2)c2ccccc21

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 4/20 0.68
ACHE P22303 1/20 0.53
OPRM1 P35372 2/20 0.50
MCHR1 Q99705 7/20 0.49
SIGMAR1 Q99720 2/20 0.49
CYP3A4 P08684 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL3615399 0.85 DRD2 (0.51) OPRL1OPRM1CYP3A4
SCHEMBL3602780 0.82 NPC1 (0.56) OPRL1CYP3A4
SCHEMBL3604592 0.78 CACNA1G (0.58) OPRL1ACHEOPRM1SIGMAR1
SCHEMBL3617803 0.76 OPRL1 (0.68) OPRL1OPRM1
SCHEMBL1866442 0.75 OPRL1 (0.55) OPRL1ACHEOPRM1MCHR1
SCHEMBL4865936 0.74 OPRL1 (0.54) OPRL1OPRM1
SCHEMBL6165274 0.73 OPRL1 (0.47) OPRL1CYP3A4
SCHEMBL3612375 0.72 OPRM1 (0.61) OPRL1OPRM1
SCHEMBL3620583 0.72 HTR4 (0.41) OPRL1OPRM1
SCHEMBL7304448 0.71 MCHR1 (0.65) ACHEMCHR1SIGMAR1

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 OPRL1 1/4885ACHE 343/4885OPRM1 5/4885
US-20020128288-A1 Useful in the treatment of chronic and acute pain. OPRL1, OGFRL1, OPRK1 OPRL1 1/4885ACHE 524/4885OPRM1 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.