SCHEMBL640231

SCHEMBL640231

CC(C)(C)OC(=O)N1CCC(N2CCN(C(=O)C(c3ccccc3)n3c(=O)[nH]c4ccc(Cl)cc43)CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 6/20 0.42
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM5 P08912 1/20 0.42
CHRM3 P20309 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CNR1 P21554 1/20 0.41
MAPK8 P45983 4/20 0.41
CCR5 P51681 2/20 0.40
FNTA P49354 2/20 0.40
FNTB P49356 2/20 0.40
OPRM1 P35372 2/20 0.39
OPRD1 P41143 1/20 0.39
OGFRL1 Q5TC84 1/20 0.39

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
SCHEMBL641212 0.89 CHRM1 (0.47) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL641177 0.88 CHRM1 (0.45) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL641501 0.88 F10 (0.46) CHRM1CHRM3OPRM1
Tert-Butyl Formate SCHEMBL27755969 0.86 OPRM1 (0.38) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL642360 0.84 DRD2 (0.47) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL641609 0.81 CHRM1 (0.49) CHRM1OPRM1
SCHEMBL641604 0.79 CBX7 (0.43) CHRM1MEN1KMT2AOPRM1
SCHEMBL641588 0.78 F10 (0.42) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL639650 0.78 F10 (0.46) CHRM1CHRM3OPRM1
SCHEMBL27755968 0.78 B3GNT2 (0.44)

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 CHRM1 112/4885CHRM2 195/4885CHRM4 1213/4885
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A CHRM1 112/4885CHRM2 195/4885CHRM4 1213/4885

“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.