SCHEMBL784645

SCHEMBL784645

COc1cc(C(=O)N[C@@H]2CCc3ccc(C(=O)N(C)C4CCN(c5cc(C)nc(C)n5)CC4)cc32)on1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 10/20 0.38
BDKRB1 P46663 4/20 0.37
TAF1 P21675 2/20 0.37
CECR2 Q9BXF3 2/20 0.37
BRD9 Q9H8M2 2/20 0.37
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
USP30 Q70CQ3 1/20 0.34
HTR1A P08908 1/20 0.34
DRD2 P14416 1/20 0.34
HTR2A P28223 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL785472 0.87 TSHR (0.45) WDR5TAF1CECR2BRD9
SCHEMBL784917 0.86 WDR5 (0.39) WDR5BDKRB1PDE4APDE4BPDE4C
SCHEMBL785347 0.85 WDR5 (0.40) WDR5BDKRB1PDE4APDE4BPDE4C
SCHEMBL784251 0.83 TAF1 (0.41) WDR5TAF1CECR2BRD9
SCHEMBL784135 0.82 TSHR (0.44) WDR5TAF1CECR2BRD9
SCHEMBL784161 0.81 ALDH1A1 (0.41) WDR5TAF1CECR2BRD9
SCHEMBL785424 0.81 TAF1 (0.40) WDR5TAF1CECR2BRD9
SCHEMBL785770 0.81 USP2 (0.40) WDR5TAF1CECR2BRD9DRD2
SCHEMBL27920503 0.81 ACHE (0.43) TAF1CECR2BRD9DRD2
SCHEMBL27902670 0.81 TAF1 (0.43) TAF1CECR2BRD9DRD2

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 WDR5 2611/4885BDKRB1 1/4885TAF1 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.