SCHEMBL785753

SCHEMBL785753

CN(C(=O)c1ccc2c(c1)C(NC(=O)c1sccc1Cl)CC2)C1CCN(c2ccncc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.38
CTSS P25774 1/20 0.38
MCHR1 Q99705 1/20 0.37
AURKA O14965 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
RIPK1 Q13546 1/20 0.35
WDR5 P61964 3/20 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
USP30 Q70CQ3 1/20 0.34
ITK Q08881 1/20 0.34
POLB P06746 1/20 0.34
ROCK2 O75116 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
SCHEMBL785314 0.95 CTSS (0.44) F10CTSSAURKATAS1R3TAS1R1
SCHEMBL785127 0.94 F10 (0.38) F10MCHR1AURKATAS1R3TAS1R1
SCHEMBL784152 0.90 CTSS (0.38) F10CTSSAURKAWDR5HTR1A
SCHEMBL784493 0.90 RIPK1 (0.37) F10CTSSAURKATAS1R3TAS1R1
SCHEMBL784852 0.90 F10 (0.38) F10CTSSAURKATAS1R3TAS1R1
SCHEMBL785504 0.88 F10 (0.37) F10USP30ITKROCK2
SCHEMBL784379 0.87 F10 (0.38) F10RIPK1USP30ITKROCK2
SCHEMBL784261 0.86 ALDH1A1 (0.43) F10CTSSTAS1R3TAS1R1
SCHEMBL784081 0.86 ALDH1A1 (0.43) F10CTSSTAS1R3TAS1R1
SCHEMBL777867 0.86 ALDH1A1 (0.43) F10CTSSTAS1R3TAS1R1

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 524/4885CTSS 824/4885MCHR1 363/4885

“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.