SCHEMBL2300161

SCHEMBL2300161

Clc1cccc(OC2CCC[N]C2)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.52
SLC6A2 P23975 1/20 0.52
SLC6A3 Q01959 1/20 0.52
FFAR4 Q5NUL3 1/20 0.42
FPR2 P25090 1/20 0.40
PROKR1 Q8TCW9 1/20 0.40
HRH3 Q9Y5N1 3/20 0.39
KCNH2 Q12809 3/20 0.39
HTR2C P28335 3/20 0.39
HTR2B P41595 1/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
EPHX2 P34913 1/20 0.37
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
RHEB Q15382 1/20 0.35

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
SCHEMBL2298742 0.84 SLC6A4 (0.57) SLC6A4SLC6A2SLC6A3FPR2PROKR1
SCHEMBL16839493 0.82 SLC6A4 (0.63) SLC6A4SLC6A2SLC6A3FFAR4FPR2
SCHEMBL2300375 0.81 SLC6A4 (0.58) SLC6A4SLC6A2SLC6A3FFAR4FPR2
SCHEMBL3120594 0.81 SLC6A4 (0.47) SLC6A4SLC6A2SLC6A3FFAR4FPR2
SCHEMBL3123523 0.81 SLC6A4 (0.47) SLC6A4SLC6A2SLC6A3FFAR4FPR2
SCHEMBL4971365 0.80 HRH1 (0.47) SLC6A4SLC6A2SLC6A3FFAR4CHRNB2
SCHEMBL3169151 0.80 HRH1 (0.47) SLC6A4SLC6A2SLC6A3FFAR4CHRNB2
Formic Acid SCHEMBL28316722 0.74 SLC6A4 (0.54) SLC6A4SLC6A2SLC6A3FFAR4FPR2
SCHEMBL22278141 0.73 CHRNB2 (0.65) SLC6A4SLC6A2SLC6A3KCNH2HTR2C
SCHEMBL2304242 0.72 SLC6A4 (0.50) SLC6A4SLC6A2SLC6A3FFAR4EPHX2

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 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.