SCHEMBL784649

SCHEMBL784649

CN(C(=O)c1ccc2c(c1)C(NC(=O)Nc1ccccc1Cl)CC2)C1CCN(c2ccc3cnccc3c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
TRPV1 Q8NER1 8/20 0.41
JAK2 O60674 7/20 0.38
JAK1 P23458 7/20 0.38
CTSS P25774 1/20 0.36
SMO Q99835 1/20 0.35
PRMT3 O60678 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
SCHEMBL784714 0.94 TRPV1 (0.42) TAS1R3TAS1R1TRPV1JAK2JAK1
SCHEMBL784689 0.92 F10 (0.39) TRPV1PRMT3
SCHEMBL785321 0.92 F10 (0.39) TRPV1PRMT3
SCHEMBL785714 0.92 TRPV1 (0.38) TRPV1JAK2JAK1CTSSPRMT3
SCHEMBL784402 0.90 CTSS (0.40) TAS1R3TAS1R1JAK2JAK1CTSS
SCHEMBL784019 0.90 TRPV1 (0.40) TRPV1
SCHEMBL785529 0.88 TRPV1 (0.40) TRPV1JAK2JAK1CTSSPRMT3
SCHEMBL785440 0.87 CTSS (0.38) TAS1R3TAS1R1JAK2JAK1CTSS
SCHEMBL785937 0.87 TRPV1 (0.40) TRPV1CTSSPRMT3
SCHEMBL785530 0.87 JAK2 (0.37) JAK2JAK1CTSS

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 TAS1R3 202/4885TAS1R1 75/4885TRPV1 21/4885

“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.