SCHEMBL15635649

SCHEMBL15635649

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 2/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SYK P43405 6/20 0.40
LMNA P02545 1/20 0.39
P2RX7 Q99572 1/20 0.38
GAA P10253 1/20 0.38
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 1/20 0.37
TUBB3 Q13509 1/20 0.37
TUBB2A Q13885 1/20 0.37
TUBB8 Q3ZCM7 1/20 0.37
TUBA3E Q6PEY2 1/20 0.37
TUBA1A Q71U36 1/20 0.37
TUBA1C Q9BQE3 1/20 0.37
TUBB6 Q9BUF5 1/20 0.37

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
SCHEMBL15638568 0.88 TLR7 (0.44) TAS2R14NPC1RAB9ASYKLMNA
SCHEMBL14319639 0.87 KDM6B (0.47) TAS2R14NPC1RAB9ASYKGABRP
SCHEMBL3773277 0.86 NPC1 (0.39) TAS2R14NPC1RAB9ASYKLMNA
SCHEMBL5063130 0.85 KDM6B (0.45) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL15638939 0.84 TLR7 (0.45) TAS2R14NPC1RAB9ASYKLMNA
SCHEMBL15636201 0.83 SYK (0.45) RAB9ASYKLMNATUBB4ATUBB
SCHEMBL29110221 0.82 KDM4E (0.43) TAS2R14NPC1RAB9ASYKLMNA
SCHEMBL27965508 0.81 TUBB4A (0.38) NPC1RAB9ASYKLMNAP2RX7
SCHEMBL15635192 0.80 TAS2R14 (0.43) TAS2R14NPC1RAB9ASYKLMNA
SCHEMBL24761059 0.80 TAS2R14 (0.44) TAS2R14NPC1RAB9ASYKLMNA

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 5 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
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 TAS2R14 409/4885NPC1 1446/4885RAB9A 1995/4885

“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.