SCHEMBL785867

SCHEMBL785867

COCC(=O)NC1CC(C)(C)c2ccc(C(=O)N(C)C3CCN(c4ccncc4)CC3)cc21

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
F10 P00742 6/20 0.37
ALDH1A1 P00352 1/20 0.37
ALOX15 P16050 1/20 0.37
CCR5 P51681 1/20 0.36
ROCK2 O75116 1/20 0.34
JAK2 O60674 2/20 0.34
JAK1 P23458 2/20 0.34
HIF1A Q16665 1/20 0.33
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
POLB P06746 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
SCHEMBL784256 0.89 CCR5 (0.38) F10ALDH1A1ALOX15CCR5ROCK2
SCHEMBL784932 0.89 F10 (0.37) F10ALDH1A1ALOX15CCR5ROCK2
SCHEMBL785791 0.88 ALDH1A1 (0.41) CYP2C9TSHRF10ALDH1A1ALOX15
SCHEMBL785608 0.87 MCHR1 (0.39) CYP3A4CYP2D6CYP2C9TSHRF10
SCHEMBL784500 0.86 ALDH1A1 (0.39) F10ALDH1A1ALOX15CCR5ROCK2
SCHEMBL785524 0.86 ALDH1A1 (0.37) F10ALDH1A1ALOX15CCR5ROCK2
SCHEMBL785080 0.85 TAOK3 (0.41) F10ALDH1A1POLB
SCHEMBL803654 0.85 GPR119 (0.38) F10ALDH1A1ALOX15CCR5JAK2
SCHEMBL784362 0.84 ALDH1A1 (0.38) F10ALDH1A1ALOX15CCR5ROCK2
SCHEMBL784953 0.84 POLB (0.39) F10ALDH1A1ALOX15CCR5ROCK2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US claimed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US claimed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 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 (1 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-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 CYP3A4 2055/4885CYP2D6 900/4885CYP2C9 1322/4885

“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.