SCHEMBL2302113

SCHEMBL2302113

COc1cccc(OC2C[N]C2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.57
SLC6A4 P31645 1/20 0.57
SLC6A3 Q01959 1/20 0.57
ALDH1A1 P00352 2/20 0.47
CYP3A4 P08684 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.44
ACHE P22303 1/20 0.44
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
FPR2 P25090 1/20 0.42
PROKR1 Q8TCW9 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
KDM4E B2RXH2 1/20 0.41
BRCA1 P38398 1/20 0.41
HBB P68871 1/20 0.41

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
SCHEMBL13798741 0.82 SLC6A2 (0.67) SLC6A2SLC6A4SLC6A3ALDH1A1CYP3A4
SCHEMBL2094450 0.82 SLC6A2 (0.58) SLC6A2SLC6A4SLC6A3ALDH1A1CYP3A4
SCHEMBL2297119 0.81 SLC6A2 (0.57) SLC6A2SLC6A4SLC6A3ALDH1A1ACHE
SCHEMBL2299147 0.80 CA1 (0.48) ALDH1A1CYP3A4SMN1; SMN2ACHECA1
SCHEMBL12303123 0.79 SLC6A2 (0.63) SLC6A2SLC6A4SLC6A3ALDH1A1CYP3A4
SCHEMBL12093641 0.79 SLC6A2 (0.63) SLC6A2SLC6A4SLC6A3ALDH1A1CYP3A4
SCHEMBL2298742 0.78 SLC6A4 (0.57) SLC6A2SLC6A4SLC6A3ALDH1A1SMN1; SMN2
SCHEMBL12302802 0.78 SLC6A2 (0.61) SLC6A2SLC6A4SLC6A3ALDH1A1CYP3A4
SCHEMBL2296625 0.78 SLC6A2 (0.57) SLC6A2SLC6A4SLC6A3HTR2CABHD6
SCHEMBL1923468 0.78 SLC6A4 (0.61) SLC6A2SLC6A4SLC6A3ALDH1A1CYP3A4

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.