SCHEMBL2300914

SCHEMBL2300914

COc1ccccc1OC1C[N]C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.52
CA2 P00918 3/20 0.52
CA7 P43166 2/20 0.52
CA9 Q16790 2/20 0.52
CA12 O43570 1/20 0.52
CA4 P22748 1/20 0.52
CA14 Q9ULX7 1/20 0.52
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PDE10A Q9Y233 1/20 0.40
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 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
SCHEMBL16946799 0.81 CA1 (0.59) CA1CA2CA7CA9CA12
SCHEMBL2093016 0.81 CA12 (0.48) CA1CA2CA7CA9CA12
Ammonia Solution, Strong SCHEMBL7413397 0.79 CA12 (0.56) CA1CA2CA7CA9CA12
Methylamine SCHEMBL7433365 0.78 CA12 (0.54) CA1CA2CA7CA9CA12
SCHEMBL29340231 0.78 CA12 (0.54) CA1CA2CA7CA9CA12
SCHEMBL5084709 0.78 CA12 (0.54) CA1CA2CA7CA9CA12
SCHEMBL24806043 0.76 PDE4A (0.53) CA1CA2CA7CA9CA12
SCHEMBL2300625 0.76 SLC6A2 (0.50) SLC6A2SLC6A4
SCHEMBL2297425 0.76 SLC6A2 (0.62) CA1CA2CA7CA9CA12
SCHEMBL2300974 0.76 SLC6A4 (0.54) SLC6A2SLC6A4PDE10AEPHX2

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 CA1 1646/4885CA2 289/4885CA7 1423/4885

“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.