SCHEMBL2297386

SCHEMBL2297386

Clc1ccccc1OC1CC[N]CC1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.56
SLC6A2 P23975 1/20 0.56
SLC6A3 Q01959 1/20 0.56
SCD O00767 4/20 0.50
EPHX2 P34913 1/20 0.41
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
KCNH2 Q12809 1/20 0.40

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
SCHEMBL3121102 0.89 SLC6A4 (0.53) SLC6A4SLC6A2SLC6A3SCDEPHX2
SCHEMBL9281104 0.86 SLC6A4 (0.65) SLC6A4SLC6A2SLC6A3SCDEPHX2
SCHEMBL3129196 0.86 SLC6A4 (0.41) SLC6A4SLC6A2SLC6A3SCDKCNH2
SCHEMBL18573854 0.82 SLC6A4 (0.61) SLC6A4SLC6A2SLC6A3SCDEPHX2
SCHEMBL11959440 0.82 SLC6A4 (0.61) SLC6A4SLC6A2SLC6A3SCDEPHX2
SCHEMBL2300974 0.81 SLC6A4 (0.54) SLC6A4SLC6A2SLC6A3SCDEPHX2
SCHEMBL19139364 0.81 SLC6A4 (0.59) SLC6A4SLC6A2SLC6A3SCDEPHX2
SCHEMBL3130043 0.80 CYP1A2 (0.42) SLC6A4SLC6A2SLC6A3SCD
SCHEMBL2304242 0.80 SLC6A4 (0.50) SLC6A4SLC6A2SLC6A3SCDEPHX2
SCHEMBL3118557 0.80 CSNK2A1 (0.44) SLC6A4SLC6A2SLC6A3SCD

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 WO claimed
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
WO-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 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 SLC6A4 502/4885SLC6A2 475/4885SLC6A3 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.