SCHEMBL15636201

SCHEMBL15636201

CCNc1nc(C(F)(F)F)ccc1C(=O)OCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.45
KDM4E B2RXH2 6/20 0.44
MAPT P10636 1/20 0.44
JUN P05412 4/20 0.42
NFKB1 P19838 4/20 0.42
NFKB2 Q00653 4/20 0.42
RELA Q04206 4/20 0.42
FOS P01100 3/20 0.42
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 3/20 0.41
HSD17B10 Q99714 1/20 0.40
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39
TUBB3 Q13509 1/20 0.39

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
SCHEMBL15635108 0.90 KDM4E (0.46) SYKKDM4EMAPTJUNNFKB1
SCHEMBL15635500 0.87 SYK (0.42) SYKKDM4EMAPTJUNNFKB1
SCHEMBL2085018 0.86 SYK (0.41) SYKKDM4EMAPTJUNNFKB1
SCHEMBL27965508 0.84 TUBB4A (0.38) SYKKDM4ENPSR1RAB9ATUBB4A
SCHEMBL15636051 0.84 SYK (0.43) SYKKDM4EMAPTJUNNFKB1
SCHEMBL1373222 0.84 SYK (0.43) SYKKDM4EMAPTJUNNFKB1
SCHEMBL6217104 0.83 HPGD (0.46) SYKKDM4EMAPTJUNNFKB1
SCHEMBL15635649 0.83 TAS2R14 (0.42) SYKKDM4ERAB9AALDH1A1HSD17B10
SCHEMBL2086011 0.82 NPSR1 (0.44) KDM4EMAPTTSHRNPSR1RAB9A
SCHEMBL3204442 0.82 GAA (0.45) SYKKDM4EMAPTJUNNFKB1

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
CN-104822653-B N-prop-2-ynylcarboxamide derivatives and their use as TRPA1 antagonists 奥赖恩公司 2017-03-08 CN 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 (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 SYK 4608/4885KDM4E 3536/4885MAPT 1793/4885

“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.