SCHEMBL785440

SCHEMBL785440

CN(C(=O)c1ccc2c(c1)C(NC(=O)c1cccc(Cl)c1Cl)CC2)C1CCN(c2ccc3cnccc3c2)CC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.38
TAS1R3 Q7RTX0 6/20 0.38
TAS1R1 Q7RTX1 6/20 0.38
TAS1R2 Q8TE23 5/20 0.38
AKT1 P31749 1/20 0.37
WDR5 P61964 3/20 0.37
F10 P00742 2/20 0.35
ROCK2 O75116 1/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
USP30 Q70CQ3 1/20 0.34
PAK1 Q13153 1/20 0.34
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
NPY5R Q15761 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
SCHEMBL784402 0.94 CTSS (0.40) CTSSTAS1R3TAS1R1TAS1R2WDR5
SCHEMBL785363 0.92 WDR5 (0.37) CTSSWDR5F10ROCK2
SCHEMBL785705 0.91 TAS1R3 (0.41) CTSSTAS1R3TAS1R1TAS1R2WDR5
SCHEMBL784715 0.89 F10 (0.40) CTSSAKT1WDR5F10USP30
SCHEMBL784714 0.89 TRPV1 (0.42) TAS1R3TAS1R1AKT1JAK2JAK1
SCHEMBL783987 0.89 WDR5 (0.40) CTSSAKT1WDR5F10USP30
SCHEMBL785714 0.88 TRPV1 (0.38) CTSSF10JAK2JAK1USP30
SCHEMBL784059 0.88 RORC (0.39) CTSSTAS1R3TAS1R1TAS1R2AKT1
SCHEMBL784649 0.87 TAS1R3 (0.41) CTSSTAS1R3TAS1R1JAK2JAK1
SCHEMBL785384 0.87 CTSS (0.40) CTSSTAS1R3TAS1R1TAS1R2WDR5

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 CTSS 824/4885TAS1R3 202/4885TAS1R1 75/4885

“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.