SCHEMBL784725

SCHEMBL784725

Cc1cc(N2CCC(N(C)C(=O)c3ccc4c(c3)C(NC(=O)Nc3c(Cl)cccc3Cl)CC4)CC2)cc(C)n1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.40
TRPV1 Q8NER1 4/20 0.37
TLR9 Q9NR96 1/20 0.37
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
JAK2 O60674 3/20 0.37
JAK1 P23458 3/20 0.37
WDR5 P61964 2/20 0.35
NPY5R Q15761 1/20 0.34
CTSS P25774 1/20 0.34
MAPK13 O15264 1/20 0.34
MAPK12 P53778 1/20 0.34
MAPK11 Q15759 1/20 0.34
MAPK14 Q16539 1/20 0.34
BACE1 P56817 1/20 0.34

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
SCHEMBL785944 0.92 TRPV1 (0.41) F10TRPV1TLR9TLR8TLR7
SCHEMBL785814 0.92 TAS1R3 (0.44) F10TRPV1TLR9TLR8TLR7
SCHEMBL784884 0.89 TRPV1 (0.41) F10TRPV1JAK2JAK1NPY5R
SCHEMBL784092 0.88 CCNC (0.42) F10TRPV1TLR9TLR8TLR7
SCHEMBL785571 0.88 F10 (0.41) F10TRPV1TLR9TLR8TLR7
SCHEMBL785270 0.88 F10 (0.42) F10TRPV1TLR9TLR8TLR7
SCHEMBL785702 0.88 F10 (0.42) F10TRPV1TLR9TLR8TLR7
SCHEMBL785213 0.87 WDR5 (0.41) F10TLR9TLR8TLR7WDR5
SCHEMBL785714 0.87 TRPV1 (0.38) F10TRPV1JAK2JAK1NPY5R
SCHEMBL785605 0.87 ALDH1A1 (0.43) F10TLR9TLR8TLR7WDR5

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 F10 524/4885TRPV1 21/4885TLR9 1200/4885

“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.