SCHEMBL641501

SCHEMBL641501

CN1CCC(N2CCN(C(=O)C(c3ccccc3)n3c(=O)[nH]c4ccc(Cl)cc43)CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.46
CHRM1 P11229 9/20 0.43
OPRM1 P35372 5/20 0.41
DRD2 P14416 1/20 0.40
MDM2 Q00987 2/20 0.39
PLD1 Q13393 1/20 0.39
CHRM3 P20309 1/20 0.39
AVPR1A P37288 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
SCHEMBL641177 0.96 CHRM1 (0.45) F10CHRM1OPRM1DRD2MDM2
SCHEMBL641609 0.93 CHRM1 (0.49) F10CHRM1OPRM1DRD2MDM2
SCHEMBL641212 0.93 CHRM1 (0.47) CHRM1OPRM1DRD2MDM2CHRM3
SCHEMBL639650 0.90 F10 (0.46) F10CHRM1OPRM1DRD2PLD1
SCHEMBL641604 0.89 CBX7 (0.43) F10CHRM1OPRM1
SCHEMBL642360 0.89 DRD2 (0.47) CHRM1OPRM1DRD2PLD1CHRM3
SCHEMBL640811 0.89 F10 (0.47) F10CHRM1OPRM1PLD1CHRM3
SCHEMBL640231 0.88 CHRM1 (0.42) CHRM1OPRM1CHRM3
SCHEMBL639676 0.87 CHRM1 (0.41) F10CHRM1OPRM1PLD1CHRM3
SCHEMBL641143 0.87 F10 (0.44) F10CHRM1OPRM1PLD1CHRM3

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