SCHEMBL785488

SCHEMBL785488

Cc1cc(N2CCC(N(C)C(=O)c3ccc4c(c3)C(NC(=O)c3cccnc3C(F)(F)F)CC4)CC2)nc(N(C)C)n1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.38
HCRTR1 O43613 5/20 0.38
HCRTR2 O43614 5/20 0.38
WDR5 P61964 3/20 0.37
RBP4 P02753 2/20 0.34
KLKB1 P03952 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SMO Q99835 1/20 0.33
PDE2A O00408 1/20 0.33
TLR9 Q9NR96 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
SPR P35270 1/20 0.33
RAF1 P04049 1/20 0.33
BRAF P15056 1/20 0.33
NR2F2 P24468 1/20 0.33
RAB9A P51151 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
SCHEMBL785506 0.93 TAF1 (0.38) HCRTR1HCRTR2WDR5RBP4KLKB1
SCHEMBL784592 0.92 WDR5 (0.36) HCRTR1HCRTR2WDR5KLKB1ALDH1A1
SCHEMBL785366 0.88 WDR5 (0.38) HCRTR1HCRTR2WDR5KLKB1ALDH1A1
SCHEMBL785526 0.87 GBA1 (0.42) GBA1HCRTR1HCRTR2WDR5ALDH1A1
SCHEMBL785226 0.87 GBA1 (0.42) GBA1HCRTR1HCRTR2WDR5ALDH1A1
SCHEMBL784800 0.86 WDR5 (0.40) HCRTR1HCRTR2WDR5KLKB1ALDH1A1
SCHEMBL784457 0.85 WDR5 (0.36) HCRTR1HCRTR2WDR5KLKB1ALDH1A1
SCHEMBL785107 0.85 WDR5 (0.37) WDR5ALDH1A1SMO
SCHEMBL785498 0.85 PDE4A (0.37) GBA1HCRTR1HCRTR2WDR5KLKB1
SCHEMBL785260 0.84 WDR5 (0.35) HCRTR1HCRTR2WDR5KLKB1ALDH1A1

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 GBA1 849/4885HCRTR1 214/4885HCRTR2 500/4885

“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.