SCHEMBL2300124

SCHEMBL2300124

Fc1cccc(OCC2CNC2)c1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 7/20 0.48
SLC6A4 P31645 7/20 0.48
SLC6A3 Q01959 5/20 0.48
CYP3A4 P08684 2/20 0.48
KCNH2 Q12809 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
HTR6 P50406 1/20 0.44
HTR1A P08908 2/20 0.44
DAO P14920 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HIF1A Q16665 1/20 0.42
HTR3A P46098 1/20 0.42

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
SCHEMBL9923476 0.88 SLC6A2 (0.63) SLC6A2SLC6A4SLC6A3KCNH2HTR6
SCHEMBL13107011 0.85 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3HTR6
SCHEMBL30441849 0.84 TLR4 (0.49) SLC6A2SLC6A4SLC6A3CYP3A4ALDH1A1
SCHEMBL27991135 0.84 TLR4 (0.49) SLC6A2SLC6A4SLC6A3CYP3A4ALDH1A1
Hydrochloric Acid SCHEMBL16823666 0.84 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3HTR6
SCHEMBL1476345 0.84 SLC6A2 (0.61) SLC6A2SLC6A4SLC6A3KCNH2HTR6
Hydrochloric Acid SCHEMBL1474997 0.83 SLC6A2 (0.60) SLC6A2SLC6A4SLC6A3KCNH2HTR6
SCHEMBL2302219 0.80 SLC6A4 (0.52) SLC6A2SLC6A4SLC6A3CYP3A4KCNH2
SCHEMBL2298975 0.80 CHRNB4 (0.52) SLC6A2SLC6A4SLC6A3CYP3A4ALDH1A1
SCHEMBL2298298 0.80 ALDH1A1 (0.42) SLC6A2SLC6A4SLC6A3CYP3A4DAO

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 SLC6A2 475/4885SLC6A4 502/4885SLC6A3 1199/4885

“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.