SCHEMBL2374042

SCHEMBL2374042

Cn1nccc1CC(C(=O)O)N(Cc1ccc(-c2ccccn2)cc1)C(=O)/C=C/c1ccc(C(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 3/20 0.37
NOS3 P29474 2/20 0.37
NOS1 P29475 2/20 0.37
NOS2 P35228 2/20 0.37
TRPV1 Q8NER1 1/20 0.37
PPARG P37231 3/20 0.36
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
HDAC1 Q13547 1/20 0.34
GRM4 Q14833 1/20 0.34
MMP1 P03956 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
SCHEMBL2374046 1.00 TRPM8 (0.37) TRPM8NOS3NOS1NOS2TRPV1
SCHEMBL2373320 0.92 NOS3 (0.42) TRPM8NOS3NOS1NOS2TRPV1
SCHEMBL2373317 0.92 NOS3 (0.42) TRPM8NOS3NOS1NOS2TRPV1
SCHEMBL2376461 0.91 PPARD (0.38) NOS3NOS1NOS2PPARGPPARD
SCHEMBL2376457 0.91 PPARD (0.38) NOS3NOS1NOS2PPARGPPARD
SCHEMBL1124512 0.88 TRPV1 (0.42) TRPM8NOS3NOS1NOS2TRPV1
SCHEMBL1124509 0.88 TRPV1 (0.42) TRPM8NOS3NOS1NOS2TRPV1
SCHEMBL1124510 0.88 TRPV1 (0.42) TRPM8NOS3NOS1NOS2TRPV1
SCHEMBL2374005 0.87 ESR1 (0.37) TRPM8NOS3NOS1NOS2TRPV1
SCHEMBL2374011 0.87 ESR1 (0.37) TRPM8NOS3NOS1NOS2TRPV1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110224210-A1 NOVEL BIS-AMIDES AS ANTI-MALARIAL AGENTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-15 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-20110224210-A1 NOVEL BIS-AMIDES AS ANTI-MALARIAL AGENTS CTSA, BECN1, HDAC6 TRPM8 2184/4885NOS3 783/4885NOS1 996/4885

“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.