SCHEMBL785666

SCHEMBL785666

CN(C(=O)c1ccc2c(c1)C(NC(=O)Nc1ccc(Cl)cc1C(F)(F)F)CCC2)C1CCN(c2ccncc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.44
FPR2 P25090 2/20 0.41
FPR1 P21462 1/20 0.40
F10 P00742 6/20 0.39
PDK2 Q15119 1/20 0.37
SLC2A1 P11166 1/20 0.36
MAPK1 P28482 1/20 0.36
CTSS P25774 1/20 0.36
PROKR1 Q8TCW9 2/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
RAB9A P51151 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35

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
SCHEMBL785701 0.91 TAS1R3 (0.41) TRPV1FPR2FPR1F10MAPK1
SCHEMBL785726 0.90 TAS1R3 (0.41) TRPV1FPR2FPR1F10MAPK1
SCHEMBL785134 0.87 TRPV1 (0.44) TRPV1FPR2FPR1SLC2A1MAPK1
SCHEMBL785823 0.87 F10 (0.40) TRPV1FPR2FPR1F10PDK2
SCHEMBL784875 0.87 KMT2A (0.46) F10
SCHEMBL785521 0.87 FPR2 (0.38) TRPV1FPR2FPR1F10PDK2
SCHEMBL784761 0.87 F10 (0.40) TRPV1FPR2FPR1F10PDK2
SCHEMBL785137 0.86 F10 (0.40) TRPV1FPR2FPR1F10PDK2
SCHEMBL785511 0.86 TAS1R3 (0.52) TRPV1MAPK1CTSSTAS1R3TAS1R1
SCHEMBL785926 0.86 TRPV1 (0.42) TRPV1FPR2FPR1F10SLC2A1

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 21/4885FPR2 426/4885FPR1 79/4885

“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.