SCHEMBL784684

SCHEMBL784684

CCN(C(=O)c1ccc2c(c1)C(NC(=O)c1cncnc1)CC2)C1CCN(c2ccncc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.39
HTR1A P08908 2/20 0.37
DRD2 P14416 2/20 0.37
HTR2A P28223 2/20 0.37
KCNH2 Q12809 2/20 0.37
WDR5 P61964 9/20 0.37
DGAT2 Q96PD7 1/20 0.36
POLB P06746 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAS1R2 Q8TE23 1/20 0.35
F10 P00742 1/20 0.35
ALDH1A1 P00352 2/20 0.35
RIPK1 Q13546 1/20 0.35
TSHR P16473 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 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
SCHEMBL784342 0.89 CTSS (0.41) CTSSHTR1ADRD2HTR2AKCNH2
SCHEMBL784472 0.89 CTSS (0.41) CTSSHTR1ADRD2HTR2AKCNH2
SCHEMBL784303 0.86 WDR5 (0.39) CTSSHTR1ADRD2HTR2AKCNH2
SCHEMBL784268 0.86 TAS1R3 (0.42) CTSSTAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL784493 0.85 RIPK1 (0.37) CTSSHTR1ADRD2HTR2AKCNH2
SCHEMBL785199 0.84 CTSS (0.47) CTSSWDR5POLBTAS1R3TAS1R1
SCHEMBL784149 0.82 ROCK2 (0.38) CTSSHTR1ADRD2HTR2AKCNH2
SCHEMBL785215 0.80 CTSS (0.41) CTSSHTR1ADRD2HTR2AKCNH2
SCHEMBL784683 0.80 BDKRB1 (0.43) F10
SCHEMBL785446 0.80 CTSS (0.52) CTSSHTR1ADRD2HTR2AKCNH2

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 824/4885HTR1A 94/4885DRD2 64/4885

“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.