SCHEMBL2298452

SCHEMBL2298452

FC(F)(F)c1ccccc1OC1C[N]C1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SCD O00767 13/20 0.49
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
TTR P02766 1/20 0.43
RBP4 P02753 1/20 0.43

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
SCHEMBL2300949 0.85 SLC6A2 (0.41) SCDCYP3A4CYP2D6
SCHEMBL3118290 0.83 SCD (0.53) SCDCYP3A4CYP2D6
SCHEMBL3512541 0.82 RBP4 (0.49) SCDCYP2D6RBP4
SCHEMBL2301366 0.79 PDE3B (0.40)
SCHEMBL1230447 0.79 SLC6A2 (0.54) SCD
SCHEMBL15627271 0.77 SCD (0.45) SCDCYP3A4CYP2D6TTRRBP4
SCHEMBL15611502 0.77 SCD (0.45) SCDCYP3A4CYP2D6RBP4
SCHEMBL19527510 0.77 EPHX2 (0.45) SCDCYP3A4CYP2D6TTRRBP4
SCHEMBL15611503 0.77 SCD (0.45) SCDCYP3A4CYP2D6RBP4
SCHEMBL19308486 0.77 SCD (0.45) SCDCYP3A4CYP2D6TTRRBP4

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 SCD 866/4885CYP3A4 2085/4885CYP2D6 2398/4885

“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.