SCHEMBL642630

SCHEMBL642630

CCCN1CCN([C@H]2CCN(C(=O)C(c3ccccc3)n3c(=O)n(S(=O)(=O)c4ccc(C)cn4)c4ccc(C#N)cc43)C2)CC1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 6/20 0.32
CCL5 P13501 1/20 0.32
MGLL Q99685 4/20 0.32
EGLN1 Q9GZT9 4/20 0.32
CHRM1 P11229 1/20 0.31
FNTA P49354 3/20 0.31
FNTB P49356 3/20 0.31
ITGB3 P05106 1/20 0.30
ITGAV P06756 1/20 0.30
ITGB5 P18084 1/20 0.30

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
SCHEMBL642631 1.00 CCR5 (0.32) CCR5CCL5MGLLEGLN1CHRM1
SCHEMBL641389 0.89 CCR5 (0.35) CCR5CCL5MGLLCHRM1
SCHEMBL10008024 0.89 CCR5 (0.35) CCR5CCL5MGLLCHRM1
SCHEMBL640047 0.88 CCR5 (0.36) CCR5CCL5MGLLCHRM1
SCHEMBL640046 0.88 CCR5 (0.36) CCR5CCL5MGLLCHRM1
SCHEMBL641240 0.86 ALDH1A1 (0.35) CCR5CCL5CHRM1FNTAFNTB
SCHEMBL641241 0.86 ALDH1A1 (0.35) CCR5CCL5CHRM1FNTAFNTB
SCHEMBL639985 0.86 MEN1 (0.34) CCR5CCL5CHRM1
SCHEMBL639986 0.86 MEN1 (0.34) CCR5CCL5CHRM1
SCHEMBL640693 0.85 PAX8 (0.35) CCR5CCL5MGLLCHRM1

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 CCR5 3327/4885CCL5 2597/4885MGLL 3620/4885
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A CCR5 3327/4885CCL5 2597/4885MGLL 3620/4885

“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.