SCHEMBL785498

SCHEMBL785498

CN(C(=O)c1ccc2c(c1)C(NC(=O)c1cccnc1C(F)(F)F)CC2)C1CCN(c2ccnc(N3CCCC3)n2)CC1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
WDR5 P61964 8/20 0.37
GBA1 P04062 1/20 0.36
HCRTR1 O43613 2/20 0.33
HCRTR2 O43614 2/20 0.33
SMO Q99835 1/20 0.33
PDK2 Q15119 1/20 0.33
KLKB1 P03952 2/20 0.33
ACKR3 P25106 2/20 0.33
PDE10A Q9Y233 1/20 0.33
POLB P06746 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
SCHEMBL784592 0.91 WDR5 (0.36) WDR5HCRTR1HCRTR2SMOKLKB1
SCHEMBL785366 0.90 WDR5 (0.38) WDR5HCRTR1HCRTR2SMOKLKB1
SCHEMBL784457 0.90 WDR5 (0.36) WDR5HCRTR1HCRTR2SMOKLKB1
SCHEMBL785260 0.88 WDR5 (0.35) WDR5HCRTR1HCRTR2SMOKLKB1
SCHEMBL784313 0.88 MEN1 (0.43) PDE4APDE4BPDE4CPDE4DWDR5
SCHEMBL784608 0.88 MEN1 (0.43) PDE4APDE4BPDE4CPDE4DWDR5
SCHEMBL785506 0.86 TAF1 (0.38) WDR5HCRTR1HCRTR2SMOKLKB1
SCHEMBL785107 0.85 WDR5 (0.37) WDR5SMOPDK2ACKR3PDE10A
SCHEMBL785488 0.85 GBA1 (0.38) WDR5GBA1HCRTR1HCRTR2SMO
SCHEMBL784800 0.84 WDR5 (0.40) WDR5HCRTR1HCRTR2SMOPDK2

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 PDE4A 944/4885PDE4B 939/4885PDE4C 997/4885

“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.