SCHEMBL641888

SCHEMBL641888

CCCN1CCN(C[C@@H]2CCN(C(=O)C(c3ccccc3)n3c(=O)n(S(=O)(=O)c4ccc(OC)cc4)c4ccc(C#N)cc43)C2)CC1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.38
MGLL Q99685 1/20 0.36
CCR5 P51681 5/20 0.36
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
CCR6 P51684 2/20 0.34
HRH2 P25021 1/20 0.34
HRH1 P35367 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
KDM2B Q8NHM5 2/20 0.33
CCL5 P13501 1/20 0.33

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
SCHEMBL641889 1.00 CHRM5 (0.38) CHRM5MGLLCCR5HCRTR1HCRTR2
SCHEMBL641887 1.00 CHRM5 (0.38) CHRM5MGLLCCR5HCRTR1HCRTR2
SCHEMBL641679 0.95 CHRM5 (0.39) CHRM5MGLLCCR5HCRTR1HCRTR2
SCHEMBL641572 0.95 CHRM5 (0.37) CHRM5MGLLHCRTR1HCRTR2CCR6
SCHEMBL641573 0.95 CHRM5 (0.37) CHRM5MGLLHCRTR1HCRTR2CCR6
SCHEMBL641574 0.95 CHRM5 (0.37) CHRM5MGLLHCRTR1HCRTR2CCR6
SCHEMBL641680 0.95 CHRM5 (0.39) CHRM5MGLLCCR5HCRTR1HCRTR2
SCHEMBL641678 0.95 CHRM5 (0.39) CHRM5MGLLCCR5HCRTR1HCRTR2
SCHEMBL640055 0.92 ALDH1A1 (0.42) ALDH1A1PRMT5WDR77
SCHEMBL642111 0.92 CHRM5 (0.38) CHRM5MGLLHCRTR1HCRTR2CCR6

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 CHRM5 702/4885MGLL 3620/4885CCR5 3327/4885
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A CHRM5 702/4885MGLL 3620/4885CCR5 3327/4885

“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.