SCHEMBL785182

SCHEMBL785182

CCN(C(=O)c1ccc2c(c1)[C@H](NC(=O)c1ccccc1Cl)CC2)C1CCN(c2cc(C)nc(C)n2)CC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 5/20 0.40
TAS1R1 Q7RTX1 5/20 0.40
TAS1R2 Q8TE23 4/20 0.40
ALDH1A1 P00352 2/20 0.40
WDR5 P61964 3/20 0.39
CCR5 P51681 1/20 0.36
SPR P35270 1/20 0.36
GBA1 P04062 1/20 0.36
USP2 O75604 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SPTLC2 O15270 1/20 0.35
HTR1A P08908 2/20 0.35
DRD2 P14416 2/20 0.35
HTR2A P28223 2/20 0.35
KCNH2 Q12809 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL784161 0.90 ALDH1A1 (0.41) TAS1R3TAS1R1TAS1R2ALDH1A1WDR5
SCHEMBL783985 0.86 ALDH1A1 (0.48) TAS1R3TAS1R1TAS1R2ALDH1A1WDR5
SCHEMBL785423 0.85 TAS1R3 (0.40) TAS1R3TAS1R1TAS1R2ALDH1A1WDR5
SCHEMBL784268 0.85 TAS1R3 (0.42) TAS1R3TAS1R1TAS1R2ALDH1A1CCR5
SCHEMBL785526 0.83 GBA1 (0.42) TAS1R3TAS1R1TAS1R2ALDH1A1WDR5
SCHEMBL785226 0.83 GBA1 (0.42) TAS1R3TAS1R1TAS1R2ALDH1A1WDR5
SCHEMBL784191 0.83 BDKRB1 (0.42) TAS1R3TAS1R1TAS1R2ALDH1A1WDR5
SCHEMBL784251 0.83 TAF1 (0.41) ALDH1A1WDR5SPRGBA1USP2
SCHEMBL785165 0.82 TAS1R3 (0.41) TAS1R3TAS1R1TAS1R2ALDH1A1WDR5
SCHEMBL784828 0.82 GBA1 (0.41) TAS1R3TAS1R1TAS1R2ALDH1A1WDR5

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 8 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-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
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
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 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 TAS1R3 202/4885TAS1R1 75/4885TAS1R2 163/4885

“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.