SCHEMBL641070

SCHEMBL641070

CN1CCN(C2CCN(C(=O)C(c3ccccc3)n3c(=O)[nH]c4ccccc43)CC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 6/20 0.48
CHRM3 P20309 3/20 0.48
CHRM2 P08172 2/20 0.48
CHRM4 P08173 2/20 0.48
CHRM5 P08912 1/20 0.48
CALCRL Q16602 6/20 0.47
CYP3A4 P08684 3/20 0.47
PLD1 Q13393 1/20 0.46
OPRM1 P35372 1/20 0.45
HSD11B1 P28845 1/20 0.43
P2RX7 Q99572 1/20 0.43
F10 P00742 1/20 0.43

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
SCHEMBL640811 0.96 F10 (0.47) CHRM1CHRM3CHRM2CHRM4CHRM5
SCHEMBL641177 0.89 CHRM1 (0.45) CHRM1CHRM3CHRM2CHRM4CHRM5
SCHEMBL641588 0.88 F10 (0.42) CHRM1CHRM3CHRM2CHRM4CHRM5
SCHEMBL641609 0.85 CHRM1 (0.49) CHRM1PLD1OPRM1F10
SCHEMBL641501 0.85 F10 (0.46) CHRM1CHRM3PLD1OPRM1F10
SCHEMBL639650 0.84 F10 (0.46) CHRM1CHRM3PLD1OPRM1F10
SCHEMBL641143 0.83 F10 (0.44) CHRM1CHRM3CHRM2CHRM4CHRM5
SCHEMBL642076 0.82 CHRM1 (0.44) CHRM1CHRM3CHRM2CHRM4CHRM5
SCHEMBL641212 0.81 CHRM1 (0.47) CHRM1CHRM3CHRM2CHRM4CHRM5
SCHEMBL642360 0.80 DRD2 (0.47) CHRM1CHRM3CHRM2CHRM4CHRM5

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 112/4885CHRM3 334/4885CHRM2 195/4885
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A CHRM1 112/4885CHRM3 334/4885CHRM2 195/4885

“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.