SCHEMBL3864838

SCHEMBL3864838

COC(=O)C(CN(C)C)NC(=O)/C=C/c1ccc(F)c(F)c1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 15/20 0.55
NOS3 P29474 11/20 0.55
NOS1 P29475 11/20 0.55
TAS1R3 Q7RTX0 3/20 0.49
TAS1R1 Q7RTX1 3/20 0.49
CNR2 P34972 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
SCHEMBL3864843 1.00 NOS2 (0.55) NOS2NOS3NOS1TAS1R3TAS1R1
SCHEMBL8194922 0.88 NOS2 (0.45) NOS2NOS3NOS1
Hydrochloric Acid SCHEMBL3861171 0.87 NOS2 (0.44) NOS2NOS3NOS1
Hydrochloric Acid SCHEMBL3861175 0.87 NOS2 (0.44) NOS2NOS3NOS1
SCHEMBL28346059 0.79 NOS2 (0.64) NOS2NOS3NOS1CNR2
SCHEMBL29323985 0.74 PTGS2 (0.45)
SCHEMBL14675695 0.71 PTGS2 (0.50)
SCHEMBL14675696 0.71 PTGS2 (0.50)
SCHEMBL31414614 0.71 NOS2 (0.56) NOS2NOS3NOS1TAS1R3TAS1R1
SCHEMBL6960203 0.71 TTR (0.63)

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
EP-2134703-A1 AMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS Neuromed Pharmaceuticals, Ltd. (CA) 2009-12-23 EP disclosed
US-20080227823-A1 (E)-4-(3-(3-bromo-4-fluorophenyl)acrylamido)-N-(2-(5-fluoro-1H-indol-3-yl)ethyl)piperidine-4-carboxamide; ameliorating conditions characterized by unwanted calcium channel activity, particularly unwanted T-type calcium channel activity ZALICUS PHARMACEUTICALS LTD. (CA) 2008-09-18 US disclosed
US-20080227823-A1 (E)-4-(3-(3-bromo-4-fluorophenyl)acrylamido)-N-(2-(5-fluoro-1H-indol-3-yl)ethyl)piperidine-4-carboxamide; ameliorating conditions characterized by unwanted calcium channel activity, particularly unwanted T-type calcium channel activity ZALICUS PHARMACEUTICALS LTD. (CA) 2008-09-18 US disclosed
US-20080227823-A1 (E)-4-(3-(3-bromo-4-fluorophenyl)acrylamido)-N-(2-(5-fluoro-1H-indol-3-yl)ethyl)piperidine-4-carboxamide; ameliorating conditions characterized by unwanted calcium channel activity, particularly unwanted T-type calcium channel activity ZALICUS PHARMACEUTICALS LTD. (CA) 2008-09-18 US disclosed
WO-2008110008-A1 AMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2008-09-18 WO disclosed
WO-2008110008-A1 AMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2008-09-18 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-20080227823-A1 (E)-4-(3-(3-bromo-4-fluorophenyl)acrylamido)-N-(2-(5-fluoro-1H-indol-3-yl)ethyl)piperidine-4-carboxamide; ameliorating conditions characterized by unwanted calcium channel activity, particularly unwanted T-type calcium channel activity CACNA1G, KCNN4, CACNA1E NOS2 2888/4885NOS3 3223/4885NOS1 2956/4885

“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.