SCHEMBL3609115

SCHEMBL3609115

CC(=O)n1c(=O)n(C2CCN(CCCCC3=CCC(F)(F)C=C3)CC2)c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 4/20 0.47
CACNA1H O95180 4/20 0.47
OPRL1 P41146 4/20 0.41
HTR4 Q13639 1/20 0.41
CHRM1 P11229 2/20 0.40
OPRM1 P35372 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PMP22 Q01453 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP2D6 P10635 2/20 0.37
CYP2C9 P11712 1/20 0.37
ADRA1A P35348 2/20 0.37
ADRA1D P25100 1/20 0.37
ADRA1B P35368 1/20 0.37
MLNR O43193 1/20 0.36
LMNA P02545 1/20 0.36
PGR P06401 1/20 0.36
ADRB2 P07550 1/20 0.36
CHRM2 P08172 1/20 0.36

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
SCHEMBL3604592 0.75 CACNA1G (0.58) CACNA1GCACNA1HOPRL1HTR4OPRM1
SCHEMBL4865936 0.72 OPRL1 (0.54) OPRL1HTR4OPRM1CHRM3OPRK1
SCHEMBL11509051 0.70 DRD2 (0.55) CACNA1GCACNA1HOPRL1OPRM1PMP22
SCHEMBL3617803 0.69 OPRL1 (0.68) OPRL1OPRM1DRD2DRD4DRD3
SCHEMBL3615399 0.68 DRD2 (0.51) OPRL1OPRM1CYP2D6DRD2DRD4
SCHEMBL3612375 0.66 OPRM1 (0.61) OPRL1CHRM1OPRM1CHRM2CHRM3
SCHEMBL3615787 0.66 OPRL1 (0.68) OPRL1OPRM1
SCHEMBL24708724 0.65 CACNA1G (1.00) CACNA1GCACNA1HOPRL1OPRM1CYP2D6
SCHEMBL30079694 0.65 CACNA1G (1.00) CACNA1GCACNA1HOPRL1OPRM1CYP2D6
Hydrochloric Acid SCHEMBL11033286 0.65 HTR4 (0.45) OPRL1HTR4OPRM1ALDH1A1

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 922/4885OPRL1 1/4885
US-20020128288-A1 Useful in the treatment of chronic and acute pain. OPRL1, OGFRL1, OPRK1 CACNA1G 298/4885CACNA1H 334/4885OPRL1 1/4885

“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.