SCHEMBL641574

SCHEMBL641574

COc1ccc(S(=O)(=O)n2c(=O)n(C(C(=O)N3CCC(CN4CCN(C)CC4)C3)c3ccccc3)c3cc(C#N)ccc32)cc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.37
HTR6 P50406 8/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
MGLL Q99685 1/20 0.36
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
CACNA2D1 P54289 1/20 0.35
CACNA1B Q00975 1/20 0.35
CACNB1 Q02641 1/20 0.35
CACNA1C Q13936 1/20 0.35
CCR6 P51684 1/20 0.35
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
ITGB3 P05106 1/20 0.34
ITGAV P06756 1/20 0.34
ITGB5 P18084 1/20 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
SCHEMBL641572 1.00 CHRM5 (0.37) CHRM5HTR6HCRTR1HCRTR2PRMT5
SCHEMBL641573 1.00 CHRM5 (0.37) CHRM5HTR6HCRTR1HCRTR2PRMT5
SCHEMBL641887 0.95 CHRM5 (0.38) CHRM5HCRTR1HCRTR2PRMT5WDR77
SCHEMBL641888 0.95 CHRM5 (0.38) CHRM5HCRTR1HCRTR2PRMT5WDR77
SCHEMBL641889 0.95 CHRM5 (0.38) CHRM5HCRTR1HCRTR2PRMT5WDR77
SCHEMBL641679 0.95 CHRM5 (0.39) CHRM5HTR6HCRTR1HCRTR2PRMT5
SCHEMBL641678 0.95 CHRM5 (0.39) CHRM5HTR6HCRTR1HCRTR2PRMT5
SCHEMBL641680 0.95 CHRM5 (0.39) CHRM5HTR6HCRTR1HCRTR2PRMT5
SCHEMBL642111 0.93 CHRM5 (0.38) CHRM5HCRTR1HCRTR2PRMT5WDR77
SCHEMBL640055 0.93 ALDH1A1 (0.42) PRMT5WDR77ALDH1A1

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 CHRM5 702/4885HTR6 826/4885HCRTR1 951/4885
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A CHRM5 702/4885HTR6 826/4885HCRTR1 951/4885

“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.