SCHEMBL2298298

SCHEMBL2298298

Fc1cccc(OCC2C[N]C2)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HIF1A Q16665 1/20 0.42
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
METAP2 P50579 1/20 0.40
MAOB P27338 2/20 0.40
DRD4 P21917 1/20 0.39
USP2 O75604 1/20 0.39
DAO P14920 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
SCHEMBL30441849 0.84 TLR4 (0.49) ALDH1A1TP53CYP3A4TSHRSMN1; SMN2
SCHEMBL27991135 0.84 TLR4 (0.49) ALDH1A1TP53CYP3A4TSHRSMN1; SMN2
SCHEMBL2302428 0.80 TAAR1 (0.52) ALDH1A1TP53CYP3A4TSHRSMN1; SMN2
SCHEMBL27996084 0.80 PARP10 (0.52) MAOB
SCHEMBL2300975 0.80 CHRNB4 (0.52) ALDH1A1TP53CYP3A4TSHRSMN1; SMN2
SCHEMBL2300124 0.80 SLC6A2 (0.48) ALDH1A1TP53CYP3A4TSHRSMN1; SMN2
SCHEMBL2300796 0.80 ALDH1A1 (0.42) ALDH1A1TP53CYP3A4TSHRSMN1; SMN2
SCHEMBL2299739 0.80 KMT2A (0.52) ALDH1A1SLC6A2SLC6A4SLC6A3MAOB
SCHEMBL2298055 0.79 DRD4 (0.43) DRD4
SCHEMBL1476345 0.78 SLC6A2 (0.61) SLC6A2SLC6A4SLC6A3

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 ALDH1A1 3255/4885TP53 4875/4885CYP3A4 2085/4885

“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.