SCHEMBL3602780

SCHEMBL3602780

CC(=O)n1c(=O)n(C2CCN(Cc3ccc(OCc4ccccc4)cc3)CC2)c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.56
RAB9A P51151 5/20 0.56
SMN1; SMN2 Q16637 4/20 0.54
TP53 P04637 4/20 0.54
HRH3 Q9Y5N1 3/20 0.53
LMNA P02545 3/20 0.51
GAA P10253 1/20 0.51
MEN1 O00255 2/20 0.50
ALDH1A1 P00352 2/20 0.50
KMT2A Q03164 2/20 0.50
KDM4E B2RXH2 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ALOX15 P16050 1/20 0.50
CHRM4 P08173 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
S1PR5 Q9H228 1/20 0.50
OPRL1 P41146 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49

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 0.86 DRD2 (0.51) CHRM4OPRL1CYP3A4CYP2D6
SCHEMBL3615787 0.82 OPRL1 (0.68) OPRL1CYP3A4
SCHEMBL3604592 0.79 CACNA1G (0.58) OPRL1
SCHEMBL1859368 0.77 NPC1 (0.57) NPC1RAB9ASMN1; SMN2TP53HRH3
SCHEMBL27658773 0.75 RAB9A (0.78) NPC1RAB9ASMN1; SMN2TP53HRH3
SCHEMBL11646678 0.74 TSHR (0.57) SMN1; SMN2MEN1KMT2AL3MBTL1CYP2D6
SCHEMBL4758305 0.73 NPC1 (1.00) NPC1RAB9ASMN1; SMN2TP53HRH3
SCHEMBL3617803 0.73 OPRL1 (0.68) OPRL1
SCHEMBL11649231 0.72 POLB (0.43) KMT2ACYP2D6
SCHEMBL4693375 0.72 L3MBTL1 (0.76) NPC1RAB9ASMN1; SMN2TP53HRH3

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 NPC1 2684/4885RAB9A 3506/4885SMN1; SMN2 1914/4885
US-20020128288-A1 Useful in the treatment of chronic and acute pain. OPRL1, OGFRL1, OPRK1 NPC1 1968/4885RAB9A 2690/4885SMN1; SMN2 1661/4885

“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.