SCHEMBL3667701

SCHEMBL3667701

CCCCC(=O)N1CCN(c2ccc(C(=O)NCC(C)CC)cn2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ME2 P23368 2/20 0.46
ME1 P48163 2/20 0.46
ME3 Q16798 2/20 0.46
SCD O00767 2/20 0.45
FOLH1 Q04609 1/20 0.44
NAMPT P43490 2/20 0.43
ENPP2 Q13822 1/20 0.42
HDAC1 Q13547 1/20 0.42
TIPARP Q7Z3E1 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 2/20 0.41
TSHR P16473 2/20 0.41
RAB9A P51151 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
PRMT5 O14744 2/20 0.41
HRH3 Q9Y5N1 1/20 0.41
P2RY12 Q9H244 1/20 0.41

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
SCHEMBL3671024 0.89 SCD (0.47) SCDFOLH1NAMPTALDH1A1SMN1; SMN2
SCHEMBL3678750 0.86 FOLH1 (0.51) ME2ME1ME3SCDFOLH1
SCHEMBL3675138 0.86 SCD (0.61) ME2ME1ME3SCDFOLH1
SCHEMBL3676977 0.85 FOLH1 (0.52) ME2ME1ME3SCDFOLH1
SCHEMBL3669566 0.85 ENPP2 (0.46) SCDENPP2ALDH1A1SMN1; SMN2NPC1
SCHEMBL3670671 0.85 FOLH1 (0.51) ME2ME1ME3SCDFOLH1
SCHEMBL3670572 0.85 SCD (0.47) SCDFOLH1NAMPTALDH1A1SMN1; SMN2
SCHEMBL3669106 0.84 SCD (0.49) ME2ME1ME3SCDFOLH1
SCHEMBL3676284 0.83 KDM4E (0.53) ME2ME1ME3SCDENPP2
SCHEMBL3668140 0.83 ME2 (0.48) ME2ME1ME3SCDFOLH1

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 10 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
CN-1997371-A Nicotinamide derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC (CA) 2007-07-11 CN 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
CN-1997371-A Nicotinamide derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC (CA) 2007-07-11 CN 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.