SCHEMBL785045

SCHEMBL785045

Cc1cc(N2CCC(N(C)C(=O)c3ccc4c(c3)[C@H](NC(=O)c3cc(C(F)(F)F)ccc3Cl)CC4)CC2)nc(C)n1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 16/20 0.40
WDR5 P61964 2/20 0.38
TAF1 P21675 1/20 0.38
CECR2 Q9BXF3 1/20 0.38
BRD9 Q9H8M2 1/20 0.38
CRHR2 Q13324 1/20 0.37
PDK2 Q15119 1/20 0.37

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
SCHEMBL784824 0.92 WDR5 (0.40) WDR5TAF1CECR2BRD9
SCHEMBL784161 0.89 ALDH1A1 (0.41) WDR5TAF1CECR2BRD9
SCHEMBL785617 0.88 WDR5 (0.41) WDR5TAF1CECR2BRD9
SCHEMBL785428 0.87 WDR5 (0.40) WDR5TAF1CECR2BRD9
SCHEMBL784222 0.86 WDR5 (0.42) WDR5TAF1CECR2BRD9
SCHEMBL785238 0.85 JAK2 (0.41) CRHR1CRHR2PDK2
SCHEMBL785520 0.85 WDR5 (0.39) WDR5TAF1CECR2BRD9
SCHEMBL783985 0.85 ALDH1A1 (0.48) WDR5TAF1CECR2BRD9
SCHEMBL785424 0.85 TAF1 (0.40) WDR5TAF1CECR2BRD9
SCHEMBL784251 0.85 TAF1 (0.41) WDR5TAF1CECR2BRD9

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 8 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-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
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
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 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 250/4885WDR5 2611/4885TAF1 2144/4885

“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.