SCHEMBL784152

SCHEMBL784152

CN(C(=O)c1ccc2c(c1)C(NC(=O)c1sccc1Cl)CC2)C1CCN(c2ccc3cnccc3c2)CC1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.38
F10 P00742 3/20 0.35
WDR5 P61964 5/20 0.35
USP30 Q70CQ3 1/20 0.34
AKT1 P31749 2/20 0.34
AURKA O14965 1/20 0.34
NPY5R Q15761 1/20 0.34
HPGDS O60760 2/20 0.33
PRKDC P78527 1/20 0.33
ROCK2 O75116 1/20 0.33
SMYD3 Q9H7B4 1/20 0.33
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
HTR2A P28223 1/20 0.33
KCNH2 Q12809 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
SCHEMBL785753 0.90 F10 (0.38) CTSSF10WDR5USP30AURKA
SCHEMBL784402 0.88 CTSS (0.40) CTSSF10WDR5USP30HPGDS
SCHEMBL784715 0.87 F10 (0.40) CTSSF10WDR5USP30AKT1
SCHEMBL785215 0.87 CTSS (0.41) CTSSF10WDR5HPGDSSMYD3
SCHEMBL784852 0.87 F10 (0.38) CTSSF10WDR5AURKA
SCHEMBL783987 0.86 WDR5 (0.40) CTSSF10WDR5USP30AKT1
SCHEMBL785440 0.86 CTSS (0.38) CTSSF10WDR5USP30AKT1
SCHEMBL785314 0.86 CTSS (0.44) CTSSF10AURKA
SCHEMBL784151 0.86 F10 (0.42) F10ROCK2
SCHEMBL784656 0.85 ABL1 (0.40) CTSSF10WDR5NPY5RSMYD3

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 CTSS 824/4885F10 524/4885WDR5 2611/4885

“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.