SCHEMBL784953

SCHEMBL784953

CN(C(=O)c1ccc2c(c1)C(NC(=O)C1CCCCC1)CC2(C)C)C1CCN(c2ccncc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
ALDH1A1 P00352 2/20 0.38
ALOX15 P16050 1/20 0.38
CCR5 P51681 1/20 0.36
F10 P00742 5/20 0.36
CNR2 P34972 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
HPGD P15428 1/20 0.35
ABL1 P00519 3/20 0.35
RIN1 Q13671 3/20 0.35
PDK2 Q15119 1/20 0.34
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
ROCK2 O75116 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
SCHEMBL784500 0.96 ALDH1A1 (0.39) POLBALDH1A1ALOX15CCR5F10
SCHEMBL785791 0.89 ALDH1A1 (0.41) POLBALDH1A1ALOX15CCR5F10
SCHEMBL784304 0.86 POLB (0.42) POLBCCR5F10CNR2NPC1
SCHEMBL785767 0.86 CTSS (0.42) POLBALDH1A1CCR5F10
SCHEMBL785524 0.85 ALDH1A1 (0.37) POLBALDH1A1ALOX15CCR5F10
SCHEMBL784362 0.85 ALDH1A1 (0.38) POLBALDH1A1ALOX15CCR5F10
SCHEMBL785867 0.84 CYP3A4 (0.38) POLBALDH1A1ALOX15CCR5F10
SCHEMBL784932 0.84 F10 (0.37) POLBALDH1A1ALOX15CCR5F10
SCHEMBL803654 0.84 GPR119 (0.38) ALDH1A1ALOX15CCR5F10
SCHEMBL784256 0.84 CCR5 (0.38) POLBALDH1A1ALOX15CCR5F10

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 POLB 3355/4885ALDH1A1 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.