SCHEMBL2300408

SCHEMBL2300408

Fc1ccc(OC2CN(c3cccc(Br)n3)C2)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 11/20 0.50
ACACB O00763 3/20 0.43
LIPG Q9Y5X9 1/20 0.41
GRIN2B Q13224 2/20 0.40
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2C Q14957 1/20 0.40
GRIN3A Q8TCU5 1/20 0.40
PDE4D Q08499 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 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
SCHEMBL2298279 0.83 SCN9A (0.50) SCN9AACACBLIPGPDE4DHTR2A
SCHEMBL2303113 0.74 SCN9A (0.49) SCN9AACACBHTR2AHTR2CHTR2B
SCHEMBL2299566 0.73 SCN9A (0.53) SCN9AACACBLIPG
SCHEMBL6379561 0.71 GRIN2B (0.49) GRIN2BGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL17610091 0.71 GRIN2B (0.49) GRIN2BGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL17609959 0.70 GRIN2B (0.45) GRIN2BGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL21130412 0.67 PDE4D (0.44) SCN9AACACBLIPGPDE4DHTR2A
SCHEMBL6375908 0.67 GRIN2B (0.45) GRIN2BGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7394734 0.67 PRKCQ (0.48) GRIN2BGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2722843 0.67 ALDH1A1 (0.48) GRIN2BGRIN2DGRIN3BGRIN1GRIN2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 SCN9A 18/4885ACACB 1915/4885LIPG 3795/4885

“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.