SCHEMBL2298790

SCHEMBL2298790

Fc1ccc(OCC2CNC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
SLC6A2 P23975 5/20 0.44
SLC6A4 P31645 5/20 0.44
SLC6A3 Q01959 3/20 0.44
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43

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
SCHEMBL3163776 0.83 MAP2K1 (0.53) LTA4HTDP1SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL1768943 0.82 MAP2K1 (0.52) LTA4HTDP1SLC6A2SLC6A4SLC6A3
SCHEMBL2231076 0.82 SLC6A2 (0.57) LTA4HTDP1SLC6A2SLC6A4SLC6A3
SCHEMBL24180195 0.82 PARP15 (0.55) LTA4HDRD2DRD4
SCHEMBL1475391 0.81 TDP1 (0.68) LTA4HTDP1SLC6A2SLC6A4SLC6A3
SCHEMBL21618371 0.81 TDP1 (0.49) LTA4HTDP1SLC6A2SLC6A4SLC6A3
SCHEMBL2296643 0.81 TDP1 (0.67) TDP1SLC6A2SLC6A4SLC6A3DRD2
SCHEMBL15301000 0.81 TDP1 (0.45) LTA4HTDP1SLC6A2SLC6A4SLC6A3
SCHEMBL14312078 0.80 MAOB (0.46) TDP1SLC6A2SLC6A4SLC6A3DRD4
SCHEMBL21618381 0.80 LTA4H (0.50) LTA4HTDP1SLC6A2SLC6A4SLC6A3

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 LTA4H 1226/4885TDP1 2812/4885SLC6A2 475/4885

“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.