SCHEMBL642076

SCHEMBL642076

COc1ccccc1C(C(=O)N1CCN(C2CCN(C)CC2)CC1)n1c(=O)[nH]c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 6/20 0.44
CHRM2 P08172 4/20 0.44
CHRM4 P08173 4/20 0.44
CHRM3 P20309 3/20 0.44
CHRM5 P08912 2/20 0.44
CALCRL Q16602 3/20 0.43
HSD11B1 P28845 3/20 0.43
PLD1 Q13393 3/20 0.43
PLD2 O14939 2/20 0.42
CYP3A4 P08684 1/20 0.42
OPRM1 P35372 1/20 0.41
OPRL1 P41146 1/20 0.41
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
HRH4 Q9H3N8 1/20 0.40

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
SCHEMBL639676 0.90 CHRM1 (0.41) CHRM1CHRM2CHRM4CHRM3CHRM5
SCHEMBL640811 0.86 F10 (0.47) CHRM1CHRM2CHRM4CHRM3CHRM5
SCHEMBL641070 0.82 CHRM1 (0.48) CHRM1CHRM2CHRM4CHRM3CHRM5
SCHEMBL641610 0.80 HTR7 (0.43) PLD1
SCHEMBL641609 0.76 CHRM1 (0.49) CHRM1PLD1PLD2OPRM1DRD2
SCHEMBL641501 0.76 F10 (0.46) CHRM1CHRM3PLD1OPRM1DRD2
SCHEMBL642042 0.76 POLB (0.51) HSD11B1DRD2DRD4DRD3
SCHEMBL639583 0.75 DRD2 (0.43) CHRM1CHRM2CHRM4CHRM3CHRM5
SCHEMBL641604 0.75 CBX7 (0.43) CHRM1CALCRLHSD11B1OPRM1HRH4
SCHEMBL639650 0.74 F10 (0.46) CHRM1CHRM3PLD1OPRM1DRD2

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 112/4885CHRM2 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.