SCHEMBL3679252

SCHEMBL3679252

CC(CCc1ccccc1)NC(=O)c1ccc(N2CCN(C(=O)CCc3ccc(F)c(F)c3)CC2)nc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ME2 P23368 6/20 0.52
ME1 P48163 6/20 0.52
ME3 Q16798 6/20 0.52
LMNA P02545 3/20 0.50
ALDH1A1 P00352 2/20 0.48
CHRNA7 P36544 1/20 0.48
KMT2A Q03164 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 1/20 0.46
HTT P42858 1/20 0.46
HDAC1 Q13547 1/20 0.46
SCD O00767 1/20 0.44
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.44
RAB9A P51151 1/20 0.44
HPGD P15428 1/20 0.44
ENPP2 Q13822 1/20 0.43
HSP90AA1 P07900 1/20 0.43

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
SCHEMBL3669510 0.91 CHRNA7 (0.49) ME2ME1ME3ALDH1A1CHRNA7
SCHEMBL3675066 0.88 ME2 (0.49) ME2ME1ME3ALDH1A1CHRNA7
SCHEMBL3672146 0.86 SCD (0.60) ME2ME1ME3LMNAALDH1A1
SCHEMBL3677309 0.85 LMNA (0.55) ME2ME1ME3LMNAALDH1A1
SCHEMBL3669036 0.84 ME2 (0.55) ME2ME1ME3LMNAALDH1A1
SCHEMBL3669104 0.84 ME2 (0.54) ME2ME1ME3LMNAALDH1A1
SCHEMBL3673745 0.83 SCD (0.56) ME2ME1ME3LMNAALDH1A1
SCHEMBL3669021 0.82 SMN1; SMN2 (0.55) ME2ME1ME3LMNAALDH1A1
SCHEMBL3677228 0.82 LMNA (0.52) ME2ME1ME3LMNAALDH1A1
SCHEMBL3672965 0.81 LMNA (0.55) ME2ME1ME3LMNAALDH1A1

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 7 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-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 (2 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-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.