SCHEMBL641636

SCHEMBL641636

O=C(C(c1ccccc1)n1c(=O)n(S(=O)(=O)c2ccc(C(F)(F)F)cc2)c2ccc(Cl)cc21)N1CCN(c2ccncc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 7/20 0.47
TRPV1 Q8NER1 1/20 0.44
F10 P00742 3/20 0.40
CHRM1 P11229 1/20 0.40
SLC6A9 P48067 1/20 0.39
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
RECQL P46063 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
HTR1A P08908 1/20 0.38
F2 P00734 1/20 0.38
PRSS1 P07477 1/20 0.38
CNR1 P21554 1/20 0.38
LSS P48449 1/20 0.37

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
SCHEMBL640278 0.94 CHRM1 (0.45) CYP3A4TRPV1F10CHRM1LMNA
SCHEMBL641266 0.92 CHRM1 (0.40) CYP3A4TRPV1F10CHRM1LMNA
SCHEMBL641231 0.89 MAPK1 (0.42) CYP3A4F10CHRM1LMNATSHR
SCHEMBL639903 0.89 CYP3A4 (0.39) CYP3A4F10CHRM1LMNATSHR
SCHEMBL641589 0.87 CHRM1 (0.39) CYP3A4TRPV1F10CHRM1LMNA
SCHEMBL640089 0.86 MAPK1 (0.42) CYP3A4F10CHRM1LMNATSHR
SCHEMBL640149 0.85 MAPT (0.41) CYP3A4F10CHRM1LMNATSHR
SCHEMBL640444 0.85 F10 (0.42) CYP3A4F10CHRM1LMNATSHR
SCHEMBL641805 0.85 F10 (0.39) CYP3A4TRPV1F10CHRM1LMNA
SCHEMBL640763 0.85 CHRM1 (0.40) CYP3A4TRPV1F10CHRM1LMNA

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 CYP3A4 2218/4885TRPV1 189/4885F10 276/4885
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A CYP3A4 2218/4885TRPV1 189/4885F10 276/4885

“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.