SCHEMBL3615399

SCHEMBL3615399

CC(=O)n1c(=O)n(C2CCN(Cc3ccc(-c4ccccc4)cc3)CC2)c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.51
DRD4 P21917 8/20 0.51
DRD3 P35462 8/20 0.51
CYP3A4 P08684 2/20 0.50
OPRM1 P35372 4/20 0.49
OPRL1 P41146 3/20 0.49
CYP2D6 P10635 1/20 0.49
AKT1 P31749 1/20 0.48
AKT2 P31751 1/20 0.48
AKT3 Q9Y243 1/20 0.48
C5AR1 P21730 1/20 0.48
OPRK1 P41145 1/20 0.48
CHRM4 P08173 1/20 0.47

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
SCHEMBL3602780 0.86 NPC1 (0.56) CYP3A4OPRL1CYP2D6CHRM4
SCHEMBL3615787 0.85 OPRL1 (0.68) CYP3A4OPRM1OPRL1
SCHEMBL3604592 0.82 CACNA1G (0.58) DRD2DRD4DRD3OPRM1OPRL1
SCHEMBL3617803 0.77 OPRL1 (0.68) DRD2DRD4DRD3OPRM1OPRL1
SCHEMBL4865936 0.76 OPRL1 (0.54) OPRM1OPRL1OPRK1
SCHEMBL3612375 0.74 OPRM1 (0.61) OPRM1OPRL1OPRK1CHRM4
SCHEMBL1858543 0.74 DRD2 (0.51) DRD2DRD4DRD3OPRM1OPRL1
SCHEMBL3620583 0.73 HTR4 (0.41) OPRM1OPRL1C5AR1OPRK1
Hydrochloric Acid SCHEMBL11033286 0.72 HTR4 (0.45) OPRM1OPRL1
SCHEMBL11509051 0.72 DRD2 (0.55) DRD2DRD3CYP3A4OPRM1OPRL1

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 DRD2 1435/4885DRD4 1859/4885DRD3 1144/4885
US-20020128288-A1 Useful in the treatment of chronic and acute pain. OPRL1, OGFRL1, OPRK1 DRD2 1184/4885DRD4 2069/4885DRD3 878/4885

“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.