SCHEMBL640691

SCHEMBL640691

COc1ccc(S(=O)(=O)n2c(=O)n(C(C(=O)N3CC[C@H](N4CCN(C(C)C)CC4)C3)c3ccccc3)c3cc(C#N)ccc32)cc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.37
CHRM5 P08912 1/20 0.37
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 3/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
CHRM2 P08172 4/20 0.36
CHRM1 P11229 3/20 0.36
CHRM4 P08173 1/20 0.36
CHRM3 P20309 1/20 0.36
MMP1 P03956 1/20 0.35
MMP9 P14780 1/20 0.35
MMP13 P45452 1/20 0.35
P2RX7 Q99572 1/20 0.34
CCR6 P51684 2/20 0.34

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
SCHEMBL642775 1.00 MGLL (0.37) MGLLCHRM5ALDH1A1KDM4EHCRTR1
SCHEMBL4096839 1.00 MGLL (0.37) MGLLCHRM5ALDH1A1KDM4EHCRTR1
SCHEMBL640894 0.93 ALDH1A1 (0.38) MGLLCHRM5ALDH1A1KDM4EHCRTR1
SCHEMBL641216 0.93 ALDH1A1 (0.38) MGLLCHRM5ALDH1A1KDM4EHCRTR1
SCHEMBL640893 0.93 ALDH1A1 (0.38) MGLLCHRM5ALDH1A1KDM4EHCRTR1
SCHEMBL640234 0.92 HCRTR1 (0.37) MGLLCHRM5ALDH1A1KDM4EHCRTR1
SCHEMBL640449 0.92 HCRTR1 (0.37) MGLLCHRM5ALDH1A1KDM4EHCRTR1
SCHEMBL640233 0.92 HCRTR1 (0.37) MGLLCHRM5ALDH1A1KDM4EHCRTR1
SCHEMBL640753 0.91 ALDH1A1 (0.40) MGLLCHRM5ALDH1A1KDM4EHCRTR1
SCHEMBL641619 0.91 ALDH1A1 (0.40) MGLLCHRM5ALDH1A1KDM4EHCRTR1

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 MGLL 3620/4885CHRM5 702/4885ALDH1A1 586/4885
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A MGLL 3620/4885CHRM5 702/4885ALDH1A1 586/4885

“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.