SCHEMBL3604592

SCHEMBL3604592

CC(=O)n1c(=O)n(C2CCN(CCc3ccccc3)CC2)c2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 4/20 0.58
CACNA1H O95180 4/20 0.58
DRD2 P14416 2/20 0.54
DRD4 P21917 2/20 0.54
HTR4 Q13639 1/20 0.52
HTR2A P28223 1/20 0.49
ACHE P22303 1/20 0.49
OPRL1 P41146 2/20 0.47
OPRM1 P35372 2/20 0.47
SIGMAR1 Q99720 1/20 0.47
DRD3 P35462 1/20 0.47
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 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
SCHEMBL4865936 0.82 OPRL1 (0.54) HTR4OPRL1OPRM1
SCHEMBL3615399 0.82 DRD2 (0.51) DRD2DRD4OPRL1OPRM1DRD3
SCHEMBL3617803 0.79 OPRL1 (0.68) DRD2DRD4OPRL1OPRM1DRD3
SCHEMBL3602780 0.79 NPC1 (0.56) OPRL1
SCHEMBL3615787 0.78 OPRL1 (0.68) ACHEOPRL1OPRM1SIGMAR1
SCHEMBL3612375 0.76 OPRM1 (0.61) OPRL1OPRM1
SCHEMBL11509051 0.75 DRD2 (0.55) CACNA1GCACNA1HDRD2HTR2AOPRL1
SCHEMBL3609115 0.75 CACNA1G (0.47) CACNA1GCACNA1HDRD2DRD4HTR4
SCHEMBL3620583 0.75 HTR4 (0.41) CACNA1GCACNA1HHTR4OPRL1OPRM1
SCHEMBL27430030 0.74 MAPT (0.64) HTR2AACHEOPRM1SIGMAR1

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 CACNA1G 902/4885CACNA1H 922/4885DRD2 1435/4885
US-20020128288-A1 Useful in the treatment of chronic and acute pain. OPRL1, OGFRL1, OPRK1 CACNA1G 298/4885CACNA1H 334/4885DRD2 1184/4885

“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.