SCHEMBL641177

SCHEMBL641177

CN1CCN(C2CCN(C(=O)C(c3ccccc3)n3c(=O)[nH]c4ccc(Cl)cc43)CC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 10/20 0.45
F10 P00742 1/20 0.42
OPRM1 P35372 4/20 0.41
AVPR1A P37288 1/20 0.40
DRD2 P14416 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM3 P20309 1/20 0.40
CALCRL Q16602 2/20 0.40
CYP3A4 P08684 1/20 0.40
MDM2 Q00987 1/20 0.39
PLD1 Q13393 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
SCHEMBL641501 0.96 F10 (0.46) CHRM1F10OPRM1AVPR1ADRD2
SCHEMBL641212 0.93 CHRM1 (0.47) CHRM1OPRM1AVPR1ADRD2CHRM2
SCHEMBL642360 0.91 DRD2 (0.47) CHRM1OPRM1DRD2CHRM2CHRM4
SCHEMBL641588 0.90 F10 (0.42) CHRM1F10OPRM1DRD2CHRM2
SCHEMBL641609 0.89 CHRM1 (0.49) CHRM1F10OPRM1DRD2MDM2
SCHEMBL641070 0.89 CHRM1 (0.48) CHRM1F10OPRM1CHRM2CHRM4
SCHEMBL640231 0.88 CHRM1 (0.42) CHRM1OPRM1CHRM2CHRM4CHRM5
SCHEMBL639650 0.86 F10 (0.46) CHRM1F10OPRM1DRD2CHRM3
SCHEMBL641604 0.86 CBX7 (0.43) CHRM1F10OPRM1CALCRL
SCHEMBL640811 0.85 F10 (0.47) CHRM1F10OPRM1CHRM2CHRM4

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 CHRM1 112/4885F10 276/4885OPRM1 392/4885
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A CHRM1 112/4885F10 276/4885OPRM1 392/4885

“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.