SCHEMBL3670780

SCHEMBL3670780

CCCCOCCCNC(=O)c1ccc(N2CCN(C(=O)CC(C)CC)CC2)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 2/20 0.46
ME2 P23368 1/20 0.44
ME1 P48163 1/20 0.44
ME3 Q16798 1/20 0.44
FOLH1 Q04609 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MAPT P10636 3/20 0.44
NPC1 O15118 2/20 0.44
ALDH1A1 P00352 2/20 0.44
RAB9A P51151 2/20 0.44
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
NAMPT P43490 1/20 0.43
HPGD P15428 2/20 0.43
USP30 Q70CQ3 2/20 0.42
HRH3 Q9Y5N1 2/20 0.41
GPR119 Q8TDV5 1/20 0.41
HDAC1 Q13547 1/20 0.40
TIPARP Q7Z3E1 1/20 0.40
HDAC6 Q9UBN7 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
SCHEMBL3670141 0.94 EGLN1 (0.46) SCDFOLH1SMN1; SMN2MAPTNPC1
SCHEMBL3669106 0.93 SCD (0.49) SCDME2ME1ME3FOLH1
SCHEMBL3673968 0.92 SCD (0.47) SCDME2ME1ME3FOLH1
SCHEMBL3668913 0.92 FOLH1 (0.49) SCDME2ME1ME3FOLH1
SCHEMBL3673960 0.91 EGLN1 (0.47) SCDFOLH1SMN1; SMN2MAPTNPC1
SCHEMBL3680606 0.91 FOLH1 (0.48) SCDME2ME1ME3FOLH1
SCHEMBL3677186 0.88 ME2 (0.52) SCDME2ME1ME3FOLH1
SCHEMBL3670996 0.86 SMN1; SMN2 (0.47) SCDME2ME1ME3FOLH1
SCHEMBL3676988 0.85 SCD (0.47) SCDFOLH1SMN1; SMN2MAPTNPC1
SCHEMBL3667718 0.85 SCD (0.61) SCDFOLH1SMN1; SMN2MAPTNPC1

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 10/4885ME2 12/4885ME1 66/4885
US-20070087363-A1 Therapeutic methods, compounds and compositions APP, BACE1, PSEN1 SCD 1186/4885ME2 2235/4885ME1 4516/4885
US-20090197894-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS NAMPT, NNT, NNMT SCD 10/4885ME2 12/4885ME1 66/4885

“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.