SCHEMBL784541

SCHEMBL784541

Cc1ccc(NC(=O)NC2CC(C)(C)c3ccc(C(=O)N(C)C4CCN(c5ccncc5)CC4)cc32)c(C)c1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 2/20 0.35
GAA P10253 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ALOX15 P16050 1/20 0.35
TRPV1 Q8NER1 1/20 0.34
FPR1 P21462 1/20 0.34
FPR2 P25090 1/20 0.34
F10 P00742 4/20 0.34
RAB9A P51151 2/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
NPC1 O15118 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
SCHEMBL785715 0.87 F10 (0.41) FPR1FPR2F10RAB9ANPC1
SCHEMBL783957 0.87 TRPV1 (0.40) ALDH1A1ALOX15TRPV1F10RAB9A
SCHEMBL784937 0.86 KMT2A (0.41) GAATRPV1FPR1FPR2RAB9A
SCHEMBL785541 0.86 F10 (0.42) ALDH1A1ALOX15TRPV1FPR1FPR2
SCHEMBL785349 0.86 NPC1 (0.39) ALDH1A1FPR1FPR2F10RAB9A
SCHEMBL784709 0.85 F10 (0.40) ALDH1A1ALOX15TRPV1FPR1FPR2
SCHEMBL785527 0.85 TRPV1 (0.38) ALDH1A1ALOX15TRPV1F10KMT2A
SCHEMBL785823 0.85 F10 (0.40) TRPV1FPR1FPR2F10RAB9A
SCHEMBL785791 0.85 ALDH1A1 (0.41) ALDH1A1ALOX15F10JAK2JAK1
SCHEMBL785815 0.84 TRPV1 (0.44) GAATRPV1FPR1FPR2F10

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 NTRK1 1221/4885GAA 3227/4885ALDH1A1 1267/4885

“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.