SCHEMBL641609

SCHEMBL641609

CN1CCC(N2CCN(C(=O)C(c3ccccc3)n3c(=O)[nH]c4cc(Cl)ccc43)CC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 10/20 0.49
MDM2 Q00987 5/20 0.46
DRD2 P14416 2/20 0.46
F10 P00742 1/20 0.46
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
HTR2A P28223 1/20 0.42
SLC6A4 P31645 1/20 0.42
DRD3 P35462 1/20 0.42
PLD1 Q13393 2/20 0.42
PLD2 O14939 1/20 0.42
OPRM1 P35372 1/20 0.41

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 0.93 F10 (0.46) CHRM1MDM2DRD2F10PLD1
SCHEMBL639650 0.90 F10 (0.46) CHRM1DRD2F10PLD1OPRM1
SCHEMBL641177 0.89 CHRM1 (0.45) CHRM1MDM2DRD2F10PLD1
SCHEMBL640811 0.89 F10 (0.47) CHRM1F10PLD1OPRM1
SCHEMBL641588 0.86 F10 (0.42) CHRM1DRD2F10OPRM1
SCHEMBL641212 0.85 CHRM1 (0.47) CHRM1MDM2DRD2OPRM1
SCHEMBL641070 0.85 CHRM1 (0.48) CHRM1F10PLD1OPRM1
SCHEMBL640560 0.84 DRD2 (0.52) CHRM1MDM2DRD2HTR1AADRA2A
SCHEMBL641604 0.82 CBX7 (0.43) CHRM1F10OPRM1
SCHEMBL642360 0.82 DRD2 (0.47) CHRM1DRD2HTR1AADRA2AHTR2A

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 112/4885MDM2 1402/4885DRD2 519/4885
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A CHRM1 112/4885MDM2 1402/4885DRD2 519/4885

“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.