SCHEMBL3673909

SCHEMBL3673909

CC(C)OCCCNC(=O)c1ccc(N2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)nc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCD O00767 2/20 0.50
TSHR P16473 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
EGLN1 Q9GZT9 1/20 0.46
NAMPT P43490 2/20 0.45
FOLH1 Q04609 1/20 0.44
ALDH1A1 P00352 3/20 0.44
DRD4 P21917 1/20 0.44
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
F2 P00734 1/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
RAB9A P51151 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL3672645 0.92 SCD (0.48) SCDTSHREGLN1FOLH1ALDH1A1
SCHEMBL3668227 0.88 SCD (0.46) SCDTSHRNAMPTFOLH1ALDH1A1
SCHEMBL3679020 0.88 SCD (0.51) SCDTSHRL3MBTL1EGLN1NAMPT
SCHEMBL3666675 0.88 SCD (0.51) SCDTSHRL3MBTL1EGLN1FOLH1
SCHEMBL3677231 0.88 SCD (0.49) SCDTSHRNAMPTFOLH1ALDH1A1
SCHEMBL3671078 0.87 SCD (0.65) SCDTSHRNAMPTFOLH1ALDH1A1
SCHEMBL3679337 0.87 SCD (0.49) SCDTSHRNAMPTFOLH1ALDH1A1
SCHEMBL3673534 0.86 SCD (0.48) SCDTSHRL3MBTL1NAMPTFOLH1
SCHEMBL3671235 0.86 LMNA (0.55) SCDTSHRL3MBTL1EGLN1NAMPT
SCHEMBL3674464 0.85 SCD (0.47) SCDTSHREGLN1NAMPTFOLH1

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 8 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
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 10/4885TSHR 2433/4885L3MBTL1 1863/4885
US-20070087363-A1 Therapeutic methods, compounds and compositions APP, BACE1, PSEN1 SCD 1186/4885TSHR 4310/4885L3MBTL1 3373/4885
US-20090197894-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS NAMPT, NNT, NNMT SCD 10/4885TSHR 2433/4885L3MBTL1 1863/4885

“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.