SCHEMBL3668909

SCHEMBL3668909

CCCC(C)NC(=O)c1ccc(N2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.46
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
NAMPT P43490 2/20 0.42
ALDH1A1 P00352 4/20 0.42
PANK3 Q9H999 1/20 0.42
MGLL Q99685 3/20 0.42
LMNA P02545 1/20 0.41
RAB9A P51151 3/20 0.41
HPGD P15428 2/20 0.41
PPARG P37231 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
USP30 Q70CQ3 2/20 0.41
NPC1 O15118 1/20 0.40
HRH3 Q9Y5N1 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
SCHEMBL3674781 0.89 SCD (0.47) SCDNAMPTALDH1A1PANK3MGLL
SCHEMBL3672891 0.88 LMNA (0.59) SCDTAS1R3TAS1R1ALDH1A1LMNA
SCHEMBL3667556 0.87 HSD17B10 (0.52) SCDTAS1R3TAS1R1NAMPTALDH1A1
SCHEMBL3669540 0.87 L3MBTL1 (0.49) SCDTAS1R3TAS1R1NAMPTALDH1A1
SCHEMBL3669497 0.85 LMNA (0.57) SCDNAMPTALDH1A1MGLLLMNA
SCHEMBL3677231 0.84 SCD (0.49) SCDNAMPTALDH1A1MGLLLMNA
SCHEMBL3672806 0.84 MEN1 (0.59) SCDNAMPTALDH1A1PANK3MGLL
SCHEMBL3671078 0.83 SCD (0.65) SCDNAMPTALDH1A1PANK3MGLL
SCHEMBL3669018 0.83 SCD (0.53) SCDALDH1A1LMNAHPGDCYP2C9
SCHEMBL3671525 0.83 ENPP2 (0.48) SCDNAMPTALDH1A1PANK3LMNA

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 10/4885TAS1R3 2049/4885TAS1R1 1422/4885
US-20070087363-A1 Therapeutic methods, compounds and compositions APP, BACE1, PSEN1 SCD 1186/4885TAS1R3 4241/4885TAS1R1 4465/4885
US-20090197894-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS NAMPT, NNT, NNMT SCD 10/4885TAS1R3 2049/4885TAS1R1 1422/4885

“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.