SCHEMBL15636147

SCHEMBL15636147

O=C(O)c1cccnc1NC1CCC(F)(F)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.48
DHODH Q02127 6/20 0.48
TRPA1 O75762 1/20 0.46
LMNA P02545 3/20 0.45
GAA P10253 2/20 0.45
FFAR2 O15552 1/20 0.45
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
RAB9A P51151 4/20 0.44
NPC1 O15118 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GBA1 P04062 1/20 0.44
ROCK2 O75116 1/20 0.43
NAPRT Q6XQN6 1/20 0.43
MAPK8 P45983 1/20 0.43
ALDH1A1 P00352 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
KDM4E B2RXH2 2/20 0.41
GMNN O75496 1/20 0.41

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
SCHEMBL17110967 0.92 TRPA1 (0.49) HSD11B1DHODHTRPA1LMNAGAA
SCHEMBL30536524 0.87 DHODH (0.57) DHODHLMNAGAAMEN1KMT2A
SCHEMBL4530207 0.87 DHODH (0.57) DHODHLMNAGAAMEN1KMT2A
SCHEMBL15635835 0.86 TRPA1 (0.58) DHODHTRPA1LMNAGAAMEN1
SCHEMBL15635712 0.86 ALDH1A1 (0.52) HSD11B1TRPA1FFAR2RAB9AGBA1
SCHEMBL15689013 0.84 ALDH1A1 (0.56) DHODHLMNAGAAMEN1KMT2A
SCHEMBL30260224 0.81 MAPK1 (0.51) DHODHLMNAGAAMEN1KMT2A
SCHEMBL4099139 0.81 DHODH (0.50) DHODHLMNAGAAMEN1KMT2A
SCHEMBL17110942 0.79 DHODH (0.51) DHODHLMNAGAAMEN1KMT2A
SCHEMBL17110975 0.78 MAPK8 (0.43) MEN1KMT2AGBA1MAPK8ALDH1A1

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 6 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 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 HSD11B1 4709/4885DHODH 4334/4885TRPA1 1/4885

“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.