SCHEMBL639929

SCHEMBL639929

N#Cc1ccc2[nH]c(=O)n(C(C(=O)N3CC[C@H](CN4CCN(Cc5ccccc5)CC4)C3)c3ccccc3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.43
SLC6A4 P31645 3/20 0.40
PAX8 Q06710 1/20 0.40
CHRM4 P08173 6/20 0.39
CHRM2 P08172 2/20 0.39
CHRM1 P11229 1/20 0.39
HTR1A P08908 2/20 0.38
DRD4 P21917 1/20 0.38
CCR3 P51677 1/20 0.37
OPRK1 P41145 1/20 0.37
OPRL1 P41146 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
SCHEMBL639930 1.00 OPRM1 (0.43) OPRM1SLC6A4PAX8CHRM4CHRM2
SCHEMBL639928 1.00 OPRM1 (0.43) OPRM1SLC6A4PAX8CHRM4CHRM2
SCHEMBL642088 0.89 OPRM1 (0.47) OPRM1SLC6A4PAX8CHRM1DRD4
SCHEMBL642089 0.89 OPRM1 (0.47) OPRM1SLC6A4PAX8CHRM1DRD4
SCHEMBL639981 0.79 KDM4E (0.39) OPRM1SLC6A4PAX8CHRM4CHRM2
SCHEMBL639980 0.79 KDM4E (0.39) OPRM1SLC6A4PAX8CHRM4CHRM2
SCHEMBL640054 0.78 ALDH1A1 (0.42) CHRM4CHRM2CHRM1
SCHEMBL640055 0.78 ALDH1A1 (0.42) CHRM4CHRM2CHRM1
SCHEMBL640056 0.78 ALDH1A1 (0.42) CHRM4CHRM2CHRM1
SCHEMBL643286 0.77 KMT2A (0.37) CHRM4CHRM2CCR3

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 6 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
EP-2061769-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE Abbott GmbH & Co. KG (DE) 2009-05-27 EP disclosed
WO-2008025736-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE ABBOTT GMBH & CO. KG (DE) 2008-03-06 WO 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 392/4885SLC6A4 644/4885PAX8 4163/4885
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A OPRM1 392/4885SLC6A4 644/4885PAX8 4163/4885

“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.