SCHEMBL642089

SCHEMBL642089

N#Cc1ccc2[nH]c(=O)n(C(C(=O)N3CCC(N4CCN(Cc5ccccc5)CC4)C3)c3ccccc3)c2c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.47
PAX8 Q06710 1/20 0.43
OPRK1 P41145 1/20 0.41
OPRL1 P41146 1/20 0.41
DRD4 P21917 1/20 0.41
CHRM1 P11229 3/20 0.40
AKT1 P31749 1/20 0.40
HSD11B1 P28845 1/20 0.39
CYP3A4 P08684 1/20 0.38
ACHE P22303 1/20 0.37
CALCRL Q16602 1/20 0.37
CHRM3 P20309 1/20 0.37
ABCB1 P08183 1/20 0.37
TNKS O95271 1/20 0.37
PARP1 P09874 1/20 0.37
PARP2 Q9UGN5 1/20 0.37
SLC6A4 P31645 1/20 0.37

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
SCHEMBL642088 1.00 OPRM1 (0.47) OPRM1PAX8OPRK1OPRL1DRD4
SCHEMBL639980 0.90 KDM4E (0.39) OPRM1PAX8OPRL1CHRM1HSD11B1
SCHEMBL639981 0.90 KDM4E (0.39) OPRM1PAX8OPRL1CHRM1HSD11B1
SCHEMBL639930 0.89 OPRM1 (0.43) OPRM1PAX8OPRK1OPRL1DRD4
SCHEMBL639929 0.89 OPRM1 (0.43) OPRM1PAX8OPRK1OPRL1DRD4
SCHEMBL639928 0.89 OPRM1 (0.43) OPRM1PAX8OPRK1OPRL1DRD4
SCHEMBL641143 0.82 F10 (0.44) OPRM1CHRM1HSD11B1CYP3A4CALCRL
SCHEMBL639709 0.78 KDM4E (0.40) OPRM1OPRK1OPRL1DRD4CHRM1
SCHEMBL640509 0.77 ALDH1A1 (0.49)
SCHEMBL642077 0.77 ALDH1A1 (0.49)

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8791148-B2 Substituted benzimidazolone derivatives, medicaments comprising them and their use AbbVie Deutschland GmbH & Co. KG (DE) 2014-07-29 US disclosed
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2012-07-05 US disclosed
US-8119676-B2 Substituted benzimidazolone derivatives, medicaments comprising them and their use Abbott GmbH & Co. HG (DE) 2012-02-21 US disclosed
US-20100152168-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE ABBOTT GMBH & CO. KG (DE) 2010-06-17 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-20100152168-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A OPRM1 392/4885PAX8 4163/4885OPRK1 109/4885
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A OPRM1 392/4885PAX8 4163/4885OPRK1 109/4885

“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.