SCHEMBL785165

SCHEMBL785165

COc1nc(C)cc(N2CCC(N(C)C(=O)c3ccc4c(c3)[C@H](NC(=O)c3ccccc3Cl)CC4)CC2)n1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 4/20 0.41
TAS1R1 Q7RTX1 4/20 0.41
SPTLC2 O15270 3/20 0.40
ALDH1A1 P00352 1/20 0.39
WDR5 P61964 4/20 0.39
TAS1R2 Q8TE23 3/20 0.38
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
SPR P35270 1/20 0.36
SPTLC3 Q9NUV7 1/20 0.36
USP2 O75604 2/20 0.36
LMNA P02545 1/20 0.36
ROCK2 O75116 1/20 0.36
GBA1 P04062 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 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 0.91 ALDH1A1 (0.41) TAS1R3TAS1R1SPTLC2ALDH1A1WDR5
SCHEMBL785526 0.90 GBA1 (0.42) TAS1R3TAS1R1SPTLC2ALDH1A1WDR5
SCHEMBL785226 0.90 GBA1 (0.42) TAS1R3TAS1R1SPTLC2ALDH1A1WDR5
SCHEMBL784828 0.89 GBA1 (0.41) TAS1R3TAS1R1SPTLC2ALDH1A1WDR5
SCHEMBL785605 0.87 ALDH1A1 (0.43) TAS1R3TAS1R1SPTLC2ALDH1A1WDR5
SCHEMBL783985 0.87 ALDH1A1 (0.48) TAS1R3TAS1R1ALDH1A1WDR5TAS1R2
SCHEMBL785049 0.87 ALDH1A1 (0.41) TAS1R3TAS1R1SPTLC2ALDH1A1WDR5
SCHEMBL785088 0.86 ALDH1A1 (0.42) TAS1R3TAS1R1SPTLC2ALDH1A1WDR5
SCHEMBL784018 0.86 ALDH1A1 (0.47) TAS1R3TAS1R1ALDH1A1WDR5TAS1R2
SCHEMBL784086 0.85 ALDH1A1 (0.41) TAS1R3TAS1R1SPTLC2ALDH1A1WDR5

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 75/4885SPTLC2 4412/4885

“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.