SCHEMBL785701

SCHEMBL785701

CN(C(=O)c1ccc2c(c1)C(NC(=O)Nc1ccc(Cl)cc1Cl)CCC2)C1CCN(c2ccncc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
F10 P00742 6/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
FPR1 P21462 1/20 0.40
FPR2 P25090 1/20 0.40
TRPV1 Q8NER1 1/20 0.39
USP30 Q70CQ3 2/20 0.38
CTSS P25774 1/20 0.38
MAPK1 P28482 1/20 0.38
LMNA P02545 1/20 0.38
UBE2M P61081 1/20 0.38
DCUN1D1 Q96GG9 1/20 0.38
ATM Q13315 1/20 0.36
MEN1 O00255 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 0.94 TAS1R3 (0.41) TAS1R3TAS1R1F10FPR1FPR2
SCHEMBL785511 0.92 TAS1R3 (0.52) TAS1R3TAS1R1TRPV1CTSSMAPK1
SCHEMBL785666 0.91 TRPV1 (0.44) TAS1R3TAS1R1F10RAB9AFPR1
SCHEMBL784875 0.90 KMT2A (0.46) F10NPC1ATMMEN1KMT2A
SCHEMBL784618 0.89 TAS1R3 (0.45) TAS1R3TAS1R1F10TRPV1CTSS
SCHEMBL785926 0.89 TRPV1 (0.42) TAS1R3TAS1R1F10NPC1FPR1
SCHEMBL785738 0.88 ALDH1A1 (0.45) TAS1R3TAS1R1F10RAB9ANPC1
SCHEMBL785131 0.88 TRPV1 (0.42) TAS1R3TAS1R1F10TRPV1CTSS
SCHEMBL785032 0.88 F10 (0.41) F10LMNA
SCHEMBL784937 0.87 KMT2A (0.41) TAS1R3TAS1R1RAB9AFPR1FPR2

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 75/4885F10 524/4885

“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.