SCHEMBL784500

SCHEMBL784500

CN(C(=O)c1ccc2c(c1)C(NC(=O)C1CC1)CC2(C)C)C1CCN(c2ccncc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
ALOX15 P16050 1/20 0.39
F10 P00742 9/20 0.38
CCR5 P51681 1/20 0.36
ITGB3 P05106 3/20 0.35
ITGA2B P08514 3/20 0.35
POLB P06746 1/20 0.35
ROCK2 O75116 1/20 0.35
JAK2 O60674 2/20 0.34
JAK1 P23458 2/20 0.34
NPY5R Q15761 1/20 0.34
F2 P00734 1/20 0.34

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
SCHEMBL784953 0.96 POLB (0.39) ALDH1A1ALOX15F10CCR5ITGB3
SCHEMBL785791 0.91 ALDH1A1 (0.41) ALDH1A1ALOX15F10CCR5POLB
SCHEMBL784362 0.87 ALDH1A1 (0.38) ALDH1A1ALOX15F10CCR5POLB
SCHEMBL803654 0.86 GPR119 (0.38) ALDH1A1ALOX15F10CCR5JAK2
SCHEMBL784932 0.86 F10 (0.37) ALDH1A1ALOX15F10CCR5POLB
SCHEMBL785867 0.86 CYP3A4 (0.38) ALDH1A1ALOX15F10CCR5ITGB3
SCHEMBL784256 0.86 CCR5 (0.38) ALDH1A1ALOX15F10CCR5ITGB3
SCHEMBL785090 0.86 BDKRB1 (0.40) ALDH1A1ALOX15F10CCR5
SCHEMBL784827 0.86 ROCK2 (0.37) ALDH1A1ALOX15F10CCR5ROCK2
SCHEMBL785875 0.86 MCHR1 (0.39) F10CCR5POLBROCK2JAK2

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 4 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-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
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 ALDH1A1 1267/4885ALOX15 2120/4885F10 524/4885

“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.