SCHEMBL785494

SCHEMBL785494

CN(C(=O)c1ccc2c(c1)C(NC(=O)c1cc(C(F)(F)F)ccc1Cl)CC2)C1CCN(c2ccc3cnccc3c2)CC1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 15/20 0.40
AKT1 P31749 1/20 0.39
WDR5 P61964 1/20 0.37
CTSS P25774 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
PDK2 Q15119 1/20 0.36

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
SCHEMBL783987 0.92 WDR5 (0.40) AKT1WDR5CTSS
SCHEMBL784715 0.92 F10 (0.40) AKT1WDR5CTSS
SCHEMBL785238 0.91 JAK2 (0.41) CRHR1JAK2JAK1TYK2PDK2
SCHEMBL784402 0.90 CTSS (0.40) WDR5CTSSJAK2JAK1
SCHEMBL784019 0.89 TRPV1 (0.40) AKT1
SCHEMBL784568 0.88 WDR5 (0.40) WDR5CTSS
SCHEMBL785363 0.87 WDR5 (0.37) WDR5CTSS
SCHEMBL785440 0.87 CTSS (0.38) AKT1WDR5CTSSJAK2JAK1
SCHEMBL784158 0.87 CTSS (0.42) CRHR1CTSSJAK2JAK1TYK2
SCHEMBL784059 0.86 RORC (0.39) AKT1WDR5CTSSJAK2JAK1

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 CRHR1 250/4885AKT1 3005/4885WDR5 2611/4885

“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.