SCHEMBL3675229

SCHEMBL3675229

CC(C)OCCCNC(=O)c1ccc(N2CCN(C(=O)c3cc(F)c(F)c(F)c3F)CC2)nc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCD O00767 2/20 0.53
NAMPT P43490 3/20 0.44
EGLN1 Q9GZT9 2/20 0.44
ALDH1A1 P00352 3/20 0.43
TSHR P16473 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
FOLH1 Q04609 1/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PAX8 Q06710 1/20 0.41
TP53 P04637 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
SCHEMBL3676508 0.92 SCD (0.51) SCDEGLN1ALDH1A1TSHRFOLH1
SCHEMBL3674275 0.90 SCD (0.49) SCDNAMPTEGLN1ALDH1A1TSHR
SCHEMBL3677075 0.89 SCD (0.49) SCDNAMPTALDH1A1TSHRFOLH1
SCHEMBL3668624 0.89 SCD (0.53) SCDNAMPTALDH1A1TSHRFOLH1
SCHEMBL3668611 0.88 SCD (0.68) SCDNAMPTALDH1A1TSHRFOLH1
SCHEMBL3675218 0.88 SCD (0.52) SCDALDH1A1TSHRFOLH1RAB9A
SCHEMBL3673527 0.87 SCD (0.51) SCDALDH1A1TSHRL3MBTL1FOLH1
SCHEMBL3671151 0.86 SCD (0.51) SCDNAMPTEGLN1ALDH1A1TSHR
SCHEMBL3674461 0.84 LMNA (0.55) SCDNAMPTEGLN1ALDH1A1TSHR
SCHEMBL3667821 0.84 SCD (0.64) SCDNAMPTALDH1A1TSHRRAB9A

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 10 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
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
US-20070087363-A1 Therapeutic methods, compounds and compositions MYRIAD GENETICS, INCORPORATED (US) 2007-04-19 US 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 (3 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 10/4885NAMPT 1/4885EGLN1 2179/4885
US-20070087363-A1 Therapeutic methods, compounds and compositions APP, BACE1, PSEN1 SCD 1186/4885NAMPT 803/4885EGLN1 2901/4885
US-20090197894-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS NAMPT, NNT, NNMT SCD 10/4885NAMPT 1/4885EGLN1 2179/4885

“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.