SCHEMBL2376099

SCHEMBL2376099

C=C(C(=O)OC)N(Cc1ccc(-c2ccccn2)cc1)C(=O)C=Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.41
HDAC1 Q13547 2/20 0.39
NOS3 P29474 2/20 0.39
NOS1 P29475 2/20 0.39
NOS2 P35228 2/20 0.39
HTR5A P47898 2/20 0.38
EPHX2 P34913 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
PPARD Q03181 2/20 0.36
PPARA Q07869 2/20 0.36
NR1H4 Q96RI1 4/20 0.36
ALDH1A1 P00352 1/20 0.36
PPARG P37231 1/20 0.36
KDM1A O60341 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
SCHEMBL2376094 1.00 TRPV1 (0.43) TRPV1TRPM8HDAC1NOS3NOS1
SCHEMBL2374727 0.87 HTR5A (0.41) HDAC1NOS3NOS1NOS2HTR5A
SCHEMBL2374728 0.87 HTR5A (0.41) HDAC1NOS3NOS1NOS2HTR5A
SCHEMBL2375592 0.80 NOS3 (0.44) TRPV1TRPM8HDAC1NOS3NOS1
SCHEMBL2375583 0.80 NOS3 (0.44) TRPV1TRPM8HDAC1NOS3NOS1
SCHEMBL2375587 0.80 NOS3 (0.44) TRPV1TRPM8HDAC1NOS3NOS1
SCHEMBL2374579 0.79 NOS3 (0.43) TRPV1TRPM8HDAC1NOS3NOS1
SCHEMBL2374585 0.79 NOS3 (0.43) TRPV1TRPM8HDAC1NOS3NOS1
SCHEMBL2374575 0.79 NOS3 (0.43) TRPV1TRPM8HDAC1NOS3NOS1
SCHEMBL1124433 0.78 NOS3 (0.51) TRPV1TRPM8NOS3NOS1NOS2

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 TRPV1 2628/4885TRPM8 2184/4885HDAC1 65/4885

“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.