SCHEMBL784618

SCHEMBL784618

CN(C(=O)c1ccc2c(c1)C(NC(=O)Nc1cccc(Cl)c1Cl)CCC2)C1CCN(c2ccncc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.45
TAS1R1 Q7RTX1 2/20 0.45
MAPK1 P28482 1/20 0.40
CTSS P25774 1/20 0.39
TRPV1 Q8NER1 3/20 0.39
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 4/20 0.38
NPSR1 Q6W5P4 1/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
ROCK2 O75116 2/20 0.36
ROCK1 Q13464 2/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
F10 P00742 1/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL785511 0.94 TAS1R3 (0.52) TAS1R3TAS1R1MAPK1CTSSTRPV1
SCHEMBL785131 0.92 TRPV1 (0.42) TAS1R3TAS1R1MAPK1CTSSTRPV1
SCHEMBL785701 0.89 TAS1R3 (0.41) TAS1R3TAS1R1MAPK1CTSSTRPV1
SCHEMBL785726 0.89 TAS1R3 (0.41) TAS1R3TAS1R1MAPK1CTSSTRPV1
SCHEMBL784955 0.88 TAS1R3 (0.44) TAS1R3TAS1R1CTSSALDH1A1KDM4E
SCHEMBL785738 0.87 ALDH1A1 (0.45) TAS1R3TAS1R1MAPK1CTSSTRPV1
SCHEMBL785527 0.87 TRPV1 (0.38) TRPV1ALDH1A1KMT2AMEN1JAK2
SCHEMBL784714 0.87 TRPV1 (0.42) TAS1R3TAS1R1TRPV1JAK2JAK1
SCHEMBL785926 0.86 TRPV1 (0.42) TAS1R3TAS1R1MAPK1CTSSTRPV1
SCHEMBL785134 0.86 TRPV1 (0.44) TAS1R3TAS1R1MAPK1CTSSTRPV1

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 TAS1R3 202/4885TAS1R1 75/4885MAPK1 1137/4885

“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.