SCHEMBL3674455

SCHEMBL3674455

CN(C)CCCNC(=O)c1ccc(N2CCN(C(=O)CCc3ccc(F)c(F)c3)CC2)nc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ME2 P23368 6/20 0.48
ME1 P48163 6/20 0.48
ME3 Q16798 6/20 0.48
SCD O00767 2/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
FOLH1 Q04609 1/20 0.42
PDPK1 O15530 1/20 0.41
EGLN1 Q9GZT9 3/20 0.41
KCNQ3 O43525 1/20 0.40
KCNQ2 O43526 1/20 0.40
CHRNA7 P36544 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
SCHEMBL3677225 0.91 ME2 (0.52) ME2ME1ME3SCDNPC1
SCHEMBL3673255 0.90 ME2 (0.51) ME2ME1ME3SCDNPC1
SCHEMBL3669721 0.89 ME2 (0.52) ME2ME1ME3SCDNPC1
SCHEMBL3670426 0.89 ME2 (0.51) ME2ME1ME3SCDNPC1
SCHEMBL3669036 0.87 ME2 (0.55) ME2ME1ME3SCDNPC1
SCHEMBL3671230 0.87 ME2 (0.47) ME2ME1ME3SCDNPC1
SCHEMBL3669502 0.87 ME2 (0.49) ME2ME1ME3SCDNPC1
SCHEMBL3669104 0.87 ME2 (0.54) ME2ME1ME3SCDNPC1
SCHEMBL3673745 0.86 SCD (0.56) ME2ME1ME3SCDNPC1
SCHEMBL3675156 0.86 ME2 (0.54) ME2ME1ME3SCDNPC1

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 ME2 12/4885ME1 66/4885ME3 25/4885
US-20070087363-A1 Therapeutic methods, compounds and compositions APP, BACE1, PSEN1 ME2 2235/4885ME1 4516/4885ME3 3207/4885
US-20090197894-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS NAMPT, NNT, NNMT ME2 12/4885ME1 66/4885ME3 25/4885

“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.