SCHEMBL785271

SCHEMBL785271

CN(C(=O)c1ccc2c(c1)[C@H](NC(=O)c1cncc3ccccc13)CC2)C1CCN(c2ccncc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.38
WDR5 P61964 1/20 0.37
HTR1A P08908 2/20 0.37
DRD2 P14416 2/20 0.37
HTR2A P28223 2/20 0.37
KCNH2 Q12809 2/20 0.37
DPP4 P27487 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
CDK1 P06493 1/20 0.36
CDK4 P11802 1/20 0.36
CCNB1 P14635 1/20 0.36
CCNA2 P20248 1/20 0.36
CCND1 P24385 1/20 0.36
CDK2 P24941 1/20 0.36
CCND3 P30281 1/20 0.36
CCNA1 P78396 1/20 0.36
CDK6 Q00534 1/20 0.36
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
JAK2 O60674 1/20 0.35

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
SCHEMBL784730 0.92 CTSS (0.39) CTSSWDR5HTR1ADRD2HTR2A
SCHEMBL785446 0.86 CTSS (0.52) CTSSHTR1ADRD2HTR2AKCNH2
SCHEMBL777867 0.86 ALDH1A1 (0.43) CTSSF10
SCHEMBL785322 0.86 WDR5 (0.42) CTSSWDR5HTR1ADRD2HTR2A
SCHEMBL784081 0.86 ALDH1A1 (0.43) CTSSF10
SCHEMBL784261 0.86 ALDH1A1 (0.43) CTSSF10
SCHEMBL785552 0.85 WDR5 (0.40) CTSSWDR5JAK2JAK1AURKA
SCHEMBL784888 0.85 CTSS (0.39) CTSSWDR5HTR1ADRD2HTR2A
SCHEMBL784755 0.85 WDR5 (0.40) CTSSWDR5AURKAF10
SCHEMBL785733 0.85 WDR5 (0.40) CTSSWDR5AURKAF10

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 CTSS 824/4885WDR5 2611/4885HTR1A 94/4885

“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.