SCHEMBL784904

SCHEMBL784904

CN(C(=O)c1ccc2c(c1)C(NC(=O)c1cc(F)ccc1Cl)CC2)C1CCN(c2ccncc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 6/20 0.40
WDR5 P61964 3/20 0.38
PDE10A Q9Y233 1/20 0.38
BDKRB1 P46663 1/20 0.36
NPY5R Q15761 2/20 0.36
CTSS P25774 1/20 0.36
HTR1A P08908 1/20 0.35
DRD2 P14416 1/20 0.35
HTR2A P28223 1/20 0.35
KCNH2 Q12809 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 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
SCHEMBL784390 0.95 CTSS (0.42) F10WDR5CTSSTAS1R3TAS1R1
SCHEMBL784112 0.94 F10 (0.40) F10PDE10ANPY5RHTR1ADRD2
SCHEMBL784449 0.93 F10 (0.43) F10WDR5NPY5RCTSS
SCHEMBL785238 0.92 JAK2 (0.41)
SCHEMBL783987 0.91 WDR5 (0.40) F10WDR5PDE10ANPY5RCTSS
SCHEMBL784081 0.91 ALDH1A1 (0.43) F10BDKRB1CTSSTAS1R3TAS1R1
SCHEMBL784261 0.91 ALDH1A1 (0.43) F10BDKRB1CTSSTAS1R3TAS1R1
SCHEMBL777867 0.91 ALDH1A1 (0.43) F10BDKRB1CTSSTAS1R3TAS1R1
SCHEMBL785100 0.90 KCNH2 (0.42) F10WDR5PDE10ANPY5RCTSS
SCHEMBL784193 0.90 WDR5 (0.41) F10WDR5PDE10ACTSSHTR1A

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 3 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-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 F10 524/4885WDR5 2611/4885PDE10A 589/4885

“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.