SCHEMBL3668366

SCHEMBL3668366

CCCC(C)NC(=O)c1ccc(N2CCN(C(=O)CC(C)CC)CC2)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
USP30 Q70CQ3 2/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
NAMPT P43490 1/20 0.41
HRH3 Q9Y5N1 2/20 0.41
ENPP2 Q13822 3/20 0.41
P2RY12 Q9H244 1/20 0.41
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HDAC1 Q13547 1/20 0.40
TIPARP Q7Z3E1 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
FOLH1 Q04609 1/20 0.40
GPR119 Q8TDV5 1/20 0.39
EGLN1 Q9GZT9 2/20 0.39
PANK3 Q9H999 1/20 0.39

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
SCHEMBL3673395 0.90 SCD (0.43) SCDALDH1A1HPGDUSP30NPC1
SCHEMBL3672965 0.89 LMNA (0.55) SCDALDH1A1HPGDNPC1RAB9A
SCHEMBL3675479 0.87 ME2 (0.47) SCDALDH1A1HPGDUSP30NPC1
SCHEMBL3669106 0.86 SCD (0.49) SCDALDH1A1HPGDUSP30NPC1
SCHEMBL3675936 0.86 HPGD (0.47) SCDALDH1A1HPGDUSP30NPC1
SCHEMBL3671024 0.85 SCD (0.47) SCDALDH1A1HPGDUSP30NPC1
SCHEMBL3667718 0.84 SCD (0.61) SCDALDH1A1HPGDUSP30NPC1
SCHEMBL3675164 0.83 KDM4E (0.53) SCDHPGDUSP30RAB9AENPP2
SCHEMBL3668913 0.83 FOLH1 (0.49) SCDALDH1A1HPGDUSP30NPC1
SCHEMBL3672206 0.83 ALDH1A1 (0.53) SCDALDH1A1HPGDUSP30NPC1

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
CN-1997371-A Nicotinamide derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC (CA) 2007-07-11 CN 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
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 10/4885ALDH1A1 1127/4885HPGD 104/4885
US-20070087363-A1 Therapeutic methods, compounds and compositions APP, BACE1, PSEN1 SCD 1186/4885ALDH1A1 3898/4885HPGD 3301/4885
US-20090197894-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS NAMPT, NNT, NNMT SCD 10/4885ALDH1A1 1127/4885HPGD 104/4885

“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.