SCHEMBL784592

SCHEMBL784592

CN(C)c1nccc(N2CCC(N(C)C(=O)c3ccc4c(c3)C(NC(=O)c3cccnc3C(F)(F)F)CC4)CC2)n1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 5/20 0.36
KLKB1 P03952 3/20 0.35
SMO Q99835 2/20 0.34
PDE10A Q9Y233 1/20 0.34
BTK Q06187 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HCRTR1 O43613 2/20 0.33
HCRTR2 O43614 2/20 0.33
ACKR3 P25106 2/20 0.33
PDE2A O00408 1/20 0.33
CCR2 P41597 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
SCHEMBL785488 0.92 GBA1 (0.38) WDR5KLKB1SMOALDH1A1HCRTR1
SCHEMBL785366 0.92 WDR5 (0.38) WDR5KLKB1SMOPDE10ABTK
SCHEMBL784457 0.92 WDR5 (0.36) WDR5KLKB1SMOPDE10ABTK
SCHEMBL785498 0.91 PDE4A (0.37) WDR5KLKB1SMOPDE10AHCRTR1
SCHEMBL785260 0.90 WDR5 (0.35) WDR5KLKB1SMOPDE10ABTK
SCHEMBL785506 0.88 TAF1 (0.38) WDR5KLKB1SMOALDH1A1HCRTR1
SCHEMBL784165 0.88 ALDH1A1 (0.41) WDR5ALDH1A1PDE2A
SCHEMBL785880 0.88 ALDH1A1 (0.41) WDR5ALDH1A1PDE2A
SCHEMBL785107 0.87 WDR5 (0.37) WDR5SMOPDE10AALDH1A1ACKR3
SCHEMBL784800 0.86 WDR5 (0.40) WDR5KLKB1SMOALDH1A1HCRTR1

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 WDR5 2611/4885KLKB1 377/4885SMO 4034/4885

“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.