SCHEMBL15635522

SCHEMBL15635522

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

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.52
IRAK4 Q9NWZ3 5/20 0.40
ANO1 Q5XXA6 4/20 0.38
MCHR1 Q99705 3/20 0.38
NPC1 O15118 1/20 0.37
PKM P14618 1/20 0.37
RAB9A P51151 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
GRM4 Q14833 1/20 0.35
CRHR1 P34998 2/20 0.33
RORC P51449 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
SCHEMBL15636187 0.88 TRPA1 (0.52) TRPA1IRAK4ANO1NPC1PKM
SCHEMBL17112605 0.88 TRPA1 (0.55) TRPA1IRAK4MCHR1MEN1KMT2A
SCHEMBL15638736 0.88 TRPA1 (0.55) TRPA1IRAK4MCHR1MEN1KMT2A
SCHEMBL17112647 0.88 TRPA1 (0.55) TRPA1IRAK4MCHR1MEN1KMT2A
SCHEMBL17363134 0.87 TRPA1 (0.51) TRPA1IRAK4ANO1NPC1PKM
SCHEMBL17110940 0.86 IRAK4 (0.39) TRPA1IRAK4ANO1MCHR1NPC1
SCHEMBL15635617 0.86 MCHR1 (0.51) TRPA1IRAK4ANO1MCHR1MEN1
SCHEMBL15638404 0.86 TRPA1 (0.50) TRPA1IRAK4ANO1NPC1PKM
SCHEMBL15635599 0.81 TRPA1 (0.76) TRPA1ANO1NPC1PKMRAB9A
SCHEMBL17110980 0.81 TRPA1 (0.45) TRPA1IRAK4ANO1NPC1PKM

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 10 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
US-20200390774-A1 TRPA1 ANTAGONISTS FOR USE IN THE TREATMENT OF ATOPIC DERMATITIS GALDERMA RES & DEV (FR) 2020-12-17 US disclosed
US-20190307758-A1 TRPA1 ANTAGONISTS FOR USE IN THE TREATMENT OF ATOPIC DERMATITIS NESTLÉ SKIN HEALTH SA (CH) 2019-10-10 US disclosed
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
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 (3 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-20190307758-A1 TRPA1 ANTAGONISTS FOR USE IN THE TREATMENT OF ATOPIC DERMATITIS TRPA1, TRPV1, TRPV2 TRPA1 1/4885IRAK4 342/4885ANO1 601/4885
US-20150376130-A1 N-PROP-2-YNYL CARBOXAMIDE DERIVATIVES AND THEIR USE AS TRPA1 ANTAGONISTS TRPA1, TRPV1, TRPV2 TRPA1 1/4885IRAK4 2748/4885ANO1 272/4885
US-20200390774-A1 TRPA1 ANTAGONISTS FOR USE IN THE TREATMENT OF ATOPIC DERMATITIS TRPA1, TRPV1, TRPV2 TRPA1 1/4885IRAK4 342/4885ANO1 601/4885

“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.