SCHEMBL3674518

SCHEMBL3674518

CC(C)OCCCNC(=O)c1ccc(N2CCN(C(=O)C(C)c3ccc(Cl)cc3)CC2)nc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
RAB9A P51151 2/20 0.46
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46
NAMPT P43490 2/20 0.45
ALDH1A1 P00352 1/20 0.45
EGLN1 Q9GZT9 1/20 0.45
PANK3 Q9H999 1/20 0.45
SCD O00767 1/20 0.45
ENPP2 Q13822 1/20 0.44
FOLH1 Q04609 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL3673468 0.94 RAB9A (0.48) TSHRRAB9ALMNAALDH1A1EGLN1
SCHEMBL3667818 0.91 TSHR (0.47) TSHRRAB9AEGLN1PANK3SCD
SCHEMBL3677234 0.91 ENPP2 (0.44) TSHRRAB9ALMNANAMPTALDH1A1
SCHEMBL3667605 0.90 PANK3 (0.47) TSHRRAB9ALMNAALDH1A1PANK3
SCHEMBL3669246 0.89 PANK3 (0.46) TSHRRAB9ALMNAALDH1A1PANK3
SCHEMBL3680059 0.89 FOLH1 (0.46) TSHRL3MBTL1RAB9ALMNANAMPT
SCHEMBL3666676 0.88 HPGD (0.53) RAB9ALMNANAMPTALDH1A1EGLN1
SCHEMBL3666259 0.87 SCD (0.58) TSHRRAB9ALMNANAMPTALDH1A1
SCHEMBL3669164 0.86 NPC1 (0.54) TSHRRAB9ALMNANAMPTALDH1A1
SCHEMBL3672209 0.85 NPC1 (0.54) TSHRRAB9ALMNANAMPTALDH1A1

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 TSHR 2433/4885L3MBTL1 1863/4885RAB9A 1717/4885
US-20070087363-A1 Therapeutic methods, compounds and compositions APP, BACE1, PSEN1 TSHR 4310/4885L3MBTL1 3373/4885RAB9A 1976/4885
US-20090197894-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS NAMPT, NNT, NNMT TSHR 2433/4885L3MBTL1 1863/4885RAB9A 1717/4885

“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.