SCHEMBL784823

SCHEMBL784823

CN(C(=O)c1ccc2c(c1)[C@H](NC(=O)c1ccccc1Cl)CC2)C1CCN(c2ccc(F)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
TAS1R3 Q7RTX0 5/20 0.42
TAS1R1 Q7RTX1 5/20 0.42
TAS1R2 Q8TE23 4/20 0.42
CTSS P25774 1/20 0.42
NPY5R Q15761 2/20 0.40
HTR1A P08908 1/20 0.39
DRD2 P14416 1/20 0.39
HTR2A P28223 1/20 0.39
KCNH2 Q12809 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CCR5 P51681 1/20 0.39
PDE10A Q9Y233 1/20 0.39
SPTLC2 O15270 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL785447 0.94 ALDH1A1 (0.45) ALDH1A1TAS1R3TAS1R1TAS1R2CTSS
SCHEMBL785364 0.91 TAS1R3 (0.44) ALDH1A1TAS1R3TAS1R1TAS1R2CTSS
SCHEMBL784081 0.90 ALDH1A1 (0.43) ALDH1A1TAS1R3TAS1R1TAS1R2CTSS
SCHEMBL784261 0.90 ALDH1A1 (0.43) ALDH1A1TAS1R3TAS1R1TAS1R2CTSS
SCHEMBL777867 0.90 ALDH1A1 (0.43) ALDH1A1TAS1R3TAS1R1TAS1R2CTSS
SCHEMBL785220 0.89 ALDH1A1 (0.42) ALDH1A1TAS1R3TAS1R1TAS1R2CTSS
SCHEMBL785605 0.88 ALDH1A1 (0.43) ALDH1A1TAS1R3TAS1R1TAS1R2CTSS
SCHEMBL785754 0.88 ALDH1A1 (0.43) ALDH1A1TAS1R3TAS1R1TAS1R2CTSS
SCHEMBL784904 0.87 F10 (0.40) TAS1R3TAS1R1CTSSNPY5RHTR1A
SCHEMBL784818 0.87 ALDH1A1 (0.41) ALDH1A1TAS1R3TAS1R1TAS1R2CTSS

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 7 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-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 ALDH1A1 1267/4885TAS1R3 202/4885TAS1R1 75/4885

“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.