SCHEMBL2300975

SCHEMBL2300975

COc1cccc(OCC2C[N]C2)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 1/20 0.52
CHRNA3 P32297 1/20 0.52
MAOB P27338 7/20 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
GRM5 P41594 2/20 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
SCHEMBL30889109 0.84 CHRNB4 (0.60) CHRNB4CHRNA3MAOBLMNATSHR
SCHEMBL13798779 0.84 CHRNB4 (0.60) CHRNB4CHRNA3MAOBLMNATSHR
SCHEMBL2298890 0.82 TDP1 (0.57) GRM2
SCHEMBL2302428 0.80 TAAR1 (0.52) LMNATSHRALDH1A1TP53CYP3A4
SCHEMBL2298298 0.80 ALDH1A1 (0.42) MAOBTSHRALDH1A1TP53CYP3A4
SCHEMBL2298975 0.80 CHRNB4 (0.52) CHRNB4CHRNA3MAOBLMNATSHR
SCHEMBL2300796 0.80 ALDH1A1 (0.42) TSHRALDH1A1TP53CYP3A4SMN1; SMN2
SCHEMBL5519437 0.78 CHRNB4 (0.54) CHRNB4CHRNA3MAOBLMNA
SCHEMBL5519431 0.78 CHRNB4 (0.54) CHRNB4CHRNA3MAOBLMNA
SCHEMBL791643 0.78 TDP1 (0.69) CHRNB4CHRNA3

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 144/4885MAOB 2676/4885

“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.