SCHEMBL784059

SCHEMBL784059

CN(C(=O)c1ccc2c(c1)C(NC(=O)c1c(Cl)cccc1C(F)(F)F)CC2)C1CCN(c2ccc3cnccc3c2)CC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RORC P51449 6/20 0.39
WDR5 P61964 2/20 0.37
CTSS P25774 1/20 0.36
TYK2 P29597 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAS1R2 Q8TE23 1/20 0.35
GPBAR1 Q8TDU6 2/20 0.34
NOTUM Q6P988 1/20 0.34
AKT1 P31749 2/20 0.33
F10 P00742 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
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
SCHEMBL783708 0.91 RORC (0.42) RORCWDR5CTSSTYK2TAS1R3
SCHEMBL785363 0.91 WDR5 (0.37) WDR5CTSSF10ROCK2
SCHEMBL785440 0.88 CTSS (0.38) WDR5CTSSTAS1R3TAS1R1TAS1R2
SCHEMBL784402 0.88 CTSS (0.40) WDR5CTSSTAS1R3TAS1R1TAS1R2
SCHEMBL784568 0.88 WDR5 (0.40) WDR5CTSSF10ROCK2
SCHEMBL784894 0.88 RORC (0.41) RORCWDR5CTSSTAS1R3TAS1R1
SCHEMBL785384 0.88 CTSS (0.40) WDR5CTSSTAS1R3TAS1R1TAS1R2
SCHEMBL784793 0.87 TAS1R3 (0.45) RORCWDR5CTSSTYK2TAS1R3
SCHEMBL784614 0.86 CTSS (0.35) CTSSGPBAR1F10JAK2JAK1
SCHEMBL784680 0.86 RORC (0.42) RORCTYK2TAS1R3TAS1R1TAS1R2

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 RORC 4667/4885WDR5 2611/4885CTSS 824/4885

“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.