SCHEMBL2301744

SCHEMBL2301744

FC(F)(F)c1ccc(OC2C[N]C2)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 5/20 0.42
SCD O00767 6/20 0.42
SLC6A4 P31645 4/20 0.40
HTR2C P28335 2/20 0.39
HTR2B P41595 2/20 0.39
SCN9A Q15858 1/20 0.39
FFAR1 O14842 2/20 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
SCHEMBL3126240 0.81 SLC6A4 (0.57) SLC6A4HTR2CHTR2B
SCHEMBL2297174 0.80 FPR2 (0.44) SLC6A4
SCHEMBL6104835 0.79 SLC6A4 (0.54) MRGPRX4SCDSLC6A4HTR2CHTR2B
SCHEMBL22283680 0.77 MRGPRX4 (0.41) MRGPRX4SLC6A4FFAR1
SCHEMBL22283746 0.77 MRGPRX4 (0.41) MRGPRX4SLC6A4FFAR1
SCHEMBL2296736 0.76 SYK (0.40) SLC6A4HTR2CHTR2BSCN9A
SCHEMBL21722791 0.75 MRGPRX4 (0.47) MRGPRX4SCN9AFFAR1
SCHEMBL9354608 0.75 MRGPRX4 (0.47) MRGPRX4SCN9AFFAR1
SCHEMBL10707742 0.74 FFAR1 (0.54) MRGPRX4FFAR1
Trifluoroacetic Acid SCHEMBL21722954 0.74 SLC6A4 (0.52) SLC6A4HTR2CHTR2BFFAR1

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 8 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
EP-0560905-B1 3-[2-CHLORO-4-(TRIFLUOROMETHYL)PHENOXY]-1-AZETIDINE CARBOXAMIDES HAVING ANTICONVULSANT ACTIVITY ROBINS CO INC A H (US) 1994-10-19 EP 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
EP-0560905-B1 3-[2-CHLORO-4-(TRIFLUOROMETHYL)PHENOXY]-1-AZETIDINE CARBOXAMIDES HAVING ANTICONVULSANT ACTIVITY ROBINS CO INC A H (US) 1994-10-19 EP 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 MRGPRX4 1211/4885SCD 866/4885SLC6A4 502/4885

“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.