SCHEMBL3673960

SCHEMBL3673960

CCC(C)CC(=O)N1CCN(c2ccc(C(=O)NCCCOC(C)C)cn2)CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 2/20 0.47
TSHR P16473 2/20 0.47
SCD O00767 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NAMPT P43490 2/20 0.45
ALDH1A1 P00352 3/20 0.45
FOLH1 Q04609 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
RAB9A P51151 2/20 0.43
HTT P42858 1/20 0.43
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
GSK3B P49841 1/20 0.42
USP30 Q70CQ3 2/20 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
SCHEMBL3673968 0.94 SCD (0.47) EGLN1TSHRSCDALDH1A1FOLH1
SCHEMBL3670141 0.92 EGLN1 (0.46) EGLN1TSHRSCDL3MBTL1NAMPT
SCHEMBL3670780 0.91 SCD (0.46) EGLN1TSHRSCDNAMPTALDH1A1
SCHEMBL3669106 0.91 SCD (0.49) TSHRSCDL3MBTL1NAMPTALDH1A1
SCHEMBL3668913 0.90 FOLH1 (0.49) TSHRSCDL3MBTL1ALDH1A1FOLH1
SCHEMBL3680606 0.89 FOLH1 (0.48) TSHRSCDL3MBTL1ALDH1A1FOLH1
SCHEMBL3668140 0.88 ME2 (0.48) EGLN1TSHRSCDL3MBTL1NAMPT
SCHEMBL3676988 0.87 SCD (0.47) EGLN1TSHRSCDNAMPTALDH1A1
SCHEMBL3674697 0.87 TSHR (0.51) EGLN1TSHRSCDL3MBTL1NAMPT
SCHEMBL3667718 0.87 SCD (0.61) TSHRSCDNAMPTALDH1A1FOLH1

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 EGLN1 2179/4885TSHR 2433/4885SCD 10/4885
US-20070087363-A1 Therapeutic methods, compounds and compositions APP, BACE1, PSEN1 EGLN1 2901/4885TSHR 4310/4885SCD 1186/4885
US-20090197894-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS NAMPT, NNT, NNMT EGLN1 2179/4885TSHR 2433/4885SCD 10/4885

“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.