SCHEMBL15638540

SCHEMBL15638540

C#CC(C)(CC)NC(=O)c1cc(F)cnc1NC1CC(F)(F)C1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.38
HTT P42858 1/20 0.38
POLB P06746 1/20 0.37
IRAK4 Q9NWZ3 8/20 0.35
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
GRM4 Q14833 2/20 0.33
RORC P51449 1/20 0.33
TNF P01375 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL17112679 1.00 TRPA1 (0.56) TRPA1L3MBTL1HTTPOLBIRAK4
SCHEMBL17112659 1.00 TRPA1 (0.56) TRPA1L3MBTL1HTTPOLBIRAK4
SCHEMBL17110984 0.93 TRPA1 (0.49) TRPA1L3MBTL1HTTPOLBIRAK4
SCHEMBL17110897 0.93 TRPA1 (0.49) TRPA1L3MBTL1HTTPOLBIRAK4
SCHEMBL17110894 0.93 TRPA1 (0.49) TRPA1L3MBTL1HTTPOLBIRAK4
SCHEMBL17110910 0.90 TRPA1 (0.46) TRPA1L3MBTL1HTTPOLBIRAK4
SCHEMBL17110903 0.90 TRPA1 (0.46) TRPA1L3MBTL1HTTPOLBIRAK4
SCHEMBL17112615 0.90 TRPA1 (0.46) TRPA1L3MBTL1HTTPOLBIRAK4
SCHEMBL17112605 0.89 TRPA1 (0.55) TRPA1L3MBTL1HTTPOLBIRAK4
SCHEMBL17112647 0.89 TRPA1 (0.55) TRPA1L3MBTL1HTTPOLBIRAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2903965-B1 N-PROP-2-YNYL CARBOXAMIDE DERIVATIVES AND THEIR USE AS TRPA1 ANTAGONISTS ORION CORP (FI) 2017-03-01 EP claimed
US-9533952-B2 N-prop-2-ynyl carboxamide derivatives and their use as TRPA1 antagonists ORION CORPORATION (FI) 2017-01-03 US claimed
US-20150376130-A1 N-PROP-2-YNYL CARBOXAMIDE DERIVATIVES AND THEIR USE AS TRPA1 ANTAGONISTS Orlon Corporation (FI) 2015-12-31 US claimed
WO-2015144976-A1 TRPA1 MODULATORS ORION CORPORATION (FI) 2015-10-01 WO claimed
EP-2903965-A1 N-PROP-2-YNYL CARBOXAMIDE DERIVATIVES AND THEIR USE AS TRPA1 ANTAGONISTS Orion Corporation (FI) 2015-08-12 EP claimed
WO-2014053694-A1 N-PROP-2-YNYL CARBOXAMIDE DERIVATIVES AND THEIR USE AS TRPA1 ANTAGONISTS ORION CORPORATION (FI) 2014-04-10 WO claimed
EP-2903965-B1 N-PROP-2-YNYL CARBOXAMIDE DERIVATIVES AND THEIR USE AS TRPA1 ANTAGONISTS ORION CORP (FI) 2017-03-01 EP disclosed
US-9533952-B2 N-prop-2-ynyl carboxamide derivatives and their use as TRPA1 antagonists ORION CORPORATION (FI) 2017-01-03 US disclosed
US-20150376130-A1 N-PROP-2-YNYL CARBOXAMIDE DERIVATIVES AND THEIR USE AS TRPA1 ANTAGONISTS Orlon Corporation (FI) 2015-12-31 US disclosed
WO-2015144976-A1 TRPA1 MODULATORS ORION CORPORATION (FI) 2015-10-01 WO disclosed
EP-2903965-A1 N-PROP-2-YNYL CARBOXAMIDE DERIVATIVES AND THEIR USE AS TRPA1 ANTAGONISTS Orion Corporation (FI) 2015-08-12 EP disclosed
WO-2014053694-A1 N-PROP-2-YNYL CARBOXAMIDE DERIVATIVES AND THEIR USE AS TRPA1 ANTAGONISTS ORION CORPORATION (FI) 2014-04-10 WO 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-20150376130-A1 N-PROP-2-YNYL CARBOXAMIDE DERIVATIVES AND THEIR USE AS TRPA1 ANTAGONISTS TRPA1, TRPV1, TRPV2 TRPA1 1/4885L3MBTL1 2353/4885HTT 987/4885

“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.