SCHEMBL785134

SCHEMBL785134

CN(C(=O)c1ccc2c(c1)C(NC(=O)Nc1cc(C(F)(F)F)ccc1Cl)CCC2)C1CCN(c2ccncc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
FPR2 P25090 4/20 0.38
SLC2A1 P11166 1/20 0.38
CTSS P25774 1/20 0.38
ALDH1A1 P00352 3/20 0.37
MAPT P10636 2/20 0.37
LMNA P02545 1/20 0.37
FPR1 P21462 2/20 0.37
TP53 P04637 2/20 0.36
MAPK1 P28482 2/20 0.36
KDR P35968 1/20 0.36
SRPK2 P78362 1/20 0.36
SRPK1 Q96SB4 1/20 0.36
SRPK3 Q9UPE1 1/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 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
SCHEMBL785726 0.91 TAS1R3 (0.41) TRPV1TAS1R3TAS1R1FPR2CTSS
SCHEMBL785511 0.89 TAS1R3 (0.52) TRPV1TAS1R3TAS1R1CTSSALDH1A1
SCHEMBL784158 0.89 CTSS (0.42) TRPV1SLC2A1CTSSALDH1A1
SCHEMBL785721 0.88 ALDH1A1 (0.38) TRPV1FPR2ALDH1A1MAPTLMNA
SCHEMBL785666 0.87 TRPV1 (0.44) TRPV1TAS1R3TAS1R1FPR2SLC2A1
SCHEMBL784019 0.87 TRPV1 (0.40) TRPV1ALDH1A1MAPTTP53MAPK1
SCHEMBL785701 0.87 TAS1R3 (0.41) TRPV1TAS1R3TAS1R1FPR2CTSS
SCHEMBL784229 0.87 TRPV1 (0.44) TRPV1ALDH1A1LMNATP53MAPK1
SCHEMBL784981 0.86 TRPV1 (0.39) TRPV1ALDH1A1MAPTLMNATP53
SCHEMBL784618 0.86 TAS1R3 (0.45) TRPV1TAS1R3TAS1R1CTSSALDH1A1

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 3 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-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.