SCHEMBL640136

SCHEMBL640136

CCCN1CCN(C2CCN(C(=O)C(c3ccccc3)n3c(=O)n(S(=O)(=O)c4ccc(OC)cc4)c4ccccc43)C2)CC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 3/20 0.44
CHRM5 P08912 2/20 0.42
CCR5 P51681 2/20 0.39
PKM P14618 1/20 0.38
CHRM2 P08172 3/20 0.36
CHRM1 P11229 3/20 0.36
ADRB1 P08588 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2B P41595 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
ACHE P22303 1/20 0.36
CHRM3 P20309 1/20 0.36

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
SCHEMBL640692 0.92 ALDH1A1 (0.42) ALDH1A1KDM4ECHRM5CCR5
SCHEMBL640744 0.92 ALDH1A1 (0.41) ALDH1A1KDM4ECHRM5CCR5PKM
SCHEMBL641507 0.92 ALDH1A1 (0.42) ALDH1A1KDM4ECHRM5CCR5
SCHEMBL641401 0.92 ALDH1A1 (0.42) ALDH1A1KDM4ECHRM5CCR5
SCHEMBL640296 0.92 ALDH1A1 (0.42) ALDH1A1KDM4ECHRM5CCR5
SCHEMBL641118 0.91 ALDH1A1 (0.40) ALDH1A1KDM4ECHRM5CCR5CHRM2
SCHEMBL641096 0.91 ALDH1A1 (0.40) ALDH1A1KDM4ECHRM5CCR5CHRM2
SCHEMBL641097 0.91 ALDH1A1 (0.40) ALDH1A1KDM4ECHRM5CCR5CHRM2
SCHEMBL642438 0.89 DRD2 (0.40) ALDH1A1KDM4EPKM
SCHEMBL641825 0.88 ALDH1A1 (0.42) ALDH1A1KDM4ECHRM5CCR5CHRM1

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 ALDH1A1 586/4885KDM4E 4508/4885CHRM5 702/4885
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A ALDH1A1 586/4885KDM4E 4508/4885CHRM5 702/4885

“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.