SCHEMBL785131

SCHEMBL785131

CN(C(=O)c1ccc2c(c1)C(NC(=O)Nc1c(Cl)cccc1Cl)CCC2)C1CCN(c2ccncc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.42
TAS1R3 Q7RTX0 2/20 0.41
TAS1R1 Q7RTX1 2/20 0.41
CTSS P25774 1/20 0.41
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 2/20 0.39
F10 P00742 2/20 0.38
KMT2A Q03164 4/20 0.38
ROCK2 O75116 2/20 0.37
ROCK1 Q13464 2/20 0.37
MEN1 O00255 2/20 0.37
LMNA P02545 2/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TAS1R2 Q8TE23 1/20 0.36
BACE1 P56817 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
SCHEMBL784618 0.92 TAS1R3 (0.45) TRPV1TAS1R3TAS1R1CTSSMAPK1
SCHEMBL785511 0.92 TAS1R3 (0.52) TRPV1TAS1R3TAS1R1CTSSMAPK1
SCHEMBL785738 0.89 ALDH1A1 (0.45) TRPV1TAS1R3TAS1R1CTSSMAPK1
SCHEMBL785926 0.88 TRPV1 (0.42) TRPV1TAS1R3TAS1R1CTSSMAPK1
SCHEMBL785701 0.88 TAS1R3 (0.41) TRPV1TAS1R3TAS1R1CTSSMAPK1
SCHEMBL784642 0.88 TRPV1 (0.46) TRPV1CTSSMAPK1ALDH1A1F10
SCHEMBL785726 0.88 TAS1R3 (0.41) TRPV1TAS1R3TAS1R1CTSSMAPK1
SCHEMBL784955 0.87 TAS1R3 (0.44) TAS1R3TAS1R1CTSSALDH1A1F10
SCHEMBL784203 0.87 ALDH1A1 (0.51) TAS1R3TAS1R1CTSSALDH1A1KMT2A
SCHEMBL784227 0.87 ALDH1A1 (0.51) TAS1R3TAS1R1CTSSALDH1A1KMT2A

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 TRPV1 21/4885TAS1R3 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.