SCHEMBL2301630

SCHEMBL2301630

FC(F)(F)c1ccc(OC2C[N]C2)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TEAD1 P28347 1/20 0.44
EPHX2 P34913 4/20 0.41
FPR2 P25090 1/20 0.40
PROKR1 Q8TCW9 1/20 0.40
NAAA Q02083 1/20 0.40
ADRB2 P07550 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
MAOB P27338 2/20 0.39
LIPG Q9Y5X9 1/20 0.38
LIPE Q05469 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 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
SCHEMBL3190226 0.86 TEAD1 (0.44) TEAD1EPHX2FPR2PROKR1NAAA
SCHEMBL2097274 0.83 ADRB2 (0.43) TEAD1EPHX2FPR2PROKR1NAAA
SCHEMBL29090107 0.82 TEAD1 (0.59) TEAD1EPHX2FPR2PROKR1NAAA
SCHEMBL2089029 0.81 TEAD1 (0.49) TEAD1EPHX2FPR2PROKR1NAAA
SCHEMBL2302211 0.79 SLC6A2 (0.60) TEAD1EPHX2SLC6A2SLC6A4
SCHEMBL23230634 0.78 TEAD1 (0.52) TEAD1EPHX2FPR2PROKR1ADRB2
SCHEMBL16839494 0.78 TEAD1 (0.52) TEAD1EPHX2FPR2PROKR1ADRB2
SCHEMBL2302199 0.78 EPHX2 (0.41) EPHX2FPR2PROKR1NAAAADRB2
SCHEMBL3004210 0.77 SLC6A4 (0.49) TEAD1SLC6A2SLC6A4
SCHEMBL16839457 0.77 TEAD1 (0.51) TEAD1EPHX2FPR2PROKR1ADRB2

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
WO-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 WO claimed
US-9334269-B2 Carboxamides as inhibitors of voltage-gated sodium channels AMGEN INC. (US) 2016-05-10 US disclosed
US-20130131035-A1 CARBOXAMIDES AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2013-05-23 US disclosed
EP-2536689-A1 ARYL CARBOXAMIDE DERIVATIVES AS SODIUM CHANNEL INHIBITORS FOR TREATMENT OF PAIN Amgen Inc. (US) 2012-12-26 EP disclosed
WO-2011103196-A1 ARYL CARBOXAMIDE DERIVATIVES AS SODIUM CHANNEL INHIBITORS FOR TREATMENT OF PAIN AMGEN INC. (US) 2011-08-25 WO disclosed
WO-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 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-20130131035-A1 CARBOXAMIDES AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS CACNA1B, SCN1A, CACNA1I TEAD1 2055/4885EPHX2 3535/4885FPR2 1817/4885

“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.