SCHEMBL3671218

SCHEMBL3671218

O=C(O)c1ccc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)[nH]c1=O

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 8/20 0.54
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ HTR2B P41595 1/20 0.48
▸ MAPK14 Q16539 1/20 0.48
▸ HSD11B1 P28845 1/20 0.47
▸ NPY2R P49146 2/20 0.47
▸ GBA1 P04062 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ DCTPP1 Q9H773 1/20 0.46
▸ CHRM1 P11229 1/20 0.45

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
SCHEMBL13043719 0.81 SCD (0.63) SCDCYP2C9CYP2C19HTR2BMAPK14
SCHEMBL4262448 0.76 CYP2C9 (0.63) SCDCYP2C9CYP2C19HTR2BMAPK14
SCHEMBL1781033 0.75 SCD (0.52) SCDCYP2C9CYP2C19HTR2BMAPK14
SCHEMBL16493564 0.75 SCD (0.55) SCDCYP2C9CYP2C19HTR2BMAPK14
SCHEMBL27701738 0.73 CYP2C9 (0.60) SCDCYP2C9CYP2C19HTR2BMAPK14
SCHEMBL1822247 0.73 SCD (0.61) SCDCYP2C9CYP2C19HTR2BMAPK14
SCHEMBL1783218 0.73 SCD (0.52) SCDHSD11B1NPY2RGBA1CHRM1
SCHEMBL3411182 0.72 ALDH1A1 (0.67) SCDCYP2C9CYP2C19GBA1ALDH1A1
SCHEMBL3837592 0.72 SCD (0.65) SCDCYP2C9CYP2C19HTR2BMAPK14
SCHEMBL1822337 0.72 SCD (0.65) SCDCYP2C9CYP2C19HTR2BMAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1763350-B1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2011-12-21 — — EP claimed
US-20090197894-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2009-08-06 — — US claimed
CN-1997371-A Nicotinamide derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC (CA) 2007-07-11 — — CN claimed
EP-1763350-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2007-03-21 — — EP claimed
WO-2006014168-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2006-02-09 — — WO claimed
US-20050119251-A1 Nicotinamide derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2005-06-02 — — US claimed
EP-1763350-B1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2011-12-21 — — EP disclosed
EP-2266566-A2 Nicotinamide derivatives and their use as therapeutic agents Xenon Pharmaceuticals Inc. (CA) 2010-12-29 — — EP disclosed
US-20090197894-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2009-08-06 — — US disclosed
CN-1997371-A Nicotinamide derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC (CA) 2007-07-11 — — CN disclosed
EP-1763350-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2007-03-21 — — EP disclosed
WO-2006014168-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2006-02-09 — — WO disclosed
US-20050119251-A1 Nicotinamide derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2005-06-02 — — US 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 (2 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-20050119251-A1 Nicotinamide derivatives and their use as therapeutic agents NAMPT, NNT, NNMT SCD 10/4885CYP2C9 1681/4885CYP2C19 1699/4885
US-20090197894-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS NAMPT, NNT, NNMT SCD 10/4885CYP2C9 1681/4885CYP2C19 1699/4885

“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.

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