SCHEMBL3676844

SCHEMBL3676844

CCCCC(=O)N1CCN(c2ccc(C(=O)NCCCOCC)cn2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ME2 P23368 1/20 0.49
ME1 P48163 1/20 0.49
ME3 Q16798 1/20 0.49
EGLN1 Q9GZT9 2/20 0.48
HPGD P15428 4/20 0.47
RAB9A P51151 3/20 0.47
USP30 Q70CQ3 2/20 0.47
NPC1 O15118 2/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.46
NAMPT P43490 2/20 0.46
MAPT P10636 1/20 0.46
TSHR P16473 1/20 0.46
FOLH1 Q04609 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SCD O00767 1/20 0.44
P2RY12 Q9H244 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
SCHEMBL3677186 0.95 ME2 (0.52) ME2ME1ME3HPGDRAB9A
SCHEMBL5586306 0.93 ME2 (0.44) ME2ME1ME3EGLN1HPGD
SCHEMBL3673956 0.92 ME2 (0.51) ME2ME1ME3EGLN1RAB9A
SCHEMBL3678750 0.91 FOLH1 (0.51) ME2ME1ME3HPGDRAB9A
SCHEMBL3676977 0.90 FOLH1 (0.52) ME2ME1ME3RAB9AUSP30
SCHEMBL3668140 0.90 ME2 (0.48) ME2ME1ME3EGLN1RAB9A
SCHEMBL3670671 0.89 FOLH1 (0.51) ME2ME1ME3RAB9AUSP30
SCHEMBL3678225 0.87 ALDH1A1 (0.49) EGLN1HPGDRAB9AUSP30NPC1
SCHEMBL3670141 0.86 EGLN1 (0.46) EGLN1HPGDRAB9AUSP30NPC1
SCHEMBL3671139 0.85 NPC1 (0.48) ME2ME1ME3EGLN1RAB9A

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.