SCHEMBL784932

SCHEMBL784932

CN(C(=O)c1ccc2c(c1)C(NC(=O)CC(C)(C)C)CC2(C)C)C1CCN(c2ccncc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
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 2/20 0.34
ALOX5 P09917 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
KCNQ2 O43526 2/20 0.34
PDK2 Q15119 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MCHR1 Q99705 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
SCHEMBL785867 0.89 CYP3A4 (0.38) F10ALDH1A1ALOX15CCR5ROCK2
SCHEMBL784256 0.89 CCR5 (0.38) F10ALDH1A1ALOX15CCR5ROCK2
SCHEMBL785791 0.88 ALDH1A1 (0.41) F10ALDH1A1ALOX15CCR5ROCK2
SCHEMBL785524 0.88 ALDH1A1 (0.37) F10ALDH1A1ALOX15CCR5ROCK2
SCHEMBL803654 0.87 GPR119 (0.38) F10ALDH1A1ALOX15CCR5ALOX5
SCHEMBL785458 0.87 MCHR1 (0.39) F10CCR5ROCK2KCNQ2JAK2
SCHEMBL784500 0.86 ALDH1A1 (0.39) F10ALDH1A1ALOX15CCR5ROCK2
SCHEMBL785579 0.85 TAOK3 (0.41) F10ALDH1A1CCR5POLBMCHR1
SCHEMBL784953 0.84 POLB (0.39) F10ALDH1A1ALOX15CCR5ROCK2
SCHEMBL784362 0.84 ALDH1A1 (0.38) 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 F10 524/4885ALDH1A1 1267/4885ALOX15 2120/4885

“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.