SCHEMBL2298975

SCHEMBL2298975

COc1cccc(OCC2CNC2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 1/20 0.52
CHRNA3 P32297 1/20 0.52
EED O75530 1/20 0.50
TDP1 Q9NUW8 1/20 0.47
MAOB P27338 5/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
LMNA P02545 1/20 0.46
TSHR P16473 2/20 0.46
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HIF1A Q16665 1/20 0.46
MAPK1 P28482 2/20 0.45
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
GRM2 Q14416 1/20 0.44
APP P05067 1/20 0.44

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
SCHEMBL13107014 0.85 EED (0.67) CHRNB4CHRNA3EEDTDP1SLC6A2
SCHEMBL30889109 0.84 CHRNB4 (0.60) CHRNB4CHRNA3TDP1MAOBLMNA
SCHEMBL13798779 0.84 CHRNB4 (0.60) CHRNB4CHRNA3TDP1MAOBLMNA
SCHEMBL791643 0.84 TDP1 (0.69) CHRNB4CHRNA3EEDTDP1SLC6A2
SCHEMBL17277334 0.83 SSTR4 (0.48) SLC6A2SLC6A4SLC6A3TSHRALDH1A1
Hydrochloric Acid SCHEMBL1475028 0.83 TDP1 (0.72) CHRNB4CHRNA3EEDTDP1SLC6A2
SCHEMBL2296643 0.82 TDP1 (0.67) CHRNB4CHRNA3TDP1SLC6A2SLC6A4
SCHEMBL12075796 0.81 ALDH1A1 (0.48) EEDTDP1SLC6A2SLC6A4SLC6A3
SCHEMBL2300124 0.80 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3TSHRALDH1A1
SCHEMBL2302219 0.80 SLC6A4 (0.52) SLC6A2SLC6A4SLC6A3LMNATSHR

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 CHRNB4 229/4885CHRNA3 144/4885EED 2594/4885

“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.