SCHEMBL3670141

SCHEMBL3670141

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

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 2/20 0.46
SCD O00767 2/20 0.46
USP30 Q70CQ3 2/20 0.45
HPGD P15428 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
FOLH1 Q04609 1/20 0.44
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.44
NAMPT P43490 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HRH3 Q9Y5N1 2/20 0.42
HTT P42858 1/20 0.42
P2RY12 Q9H244 1/20 0.42

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
SCHEMBL3670780 0.94 SCD (0.46) EGLN1SCDUSP30HPGDSMN1; SMN2
SCHEMBL3673968 0.93 SCD (0.47) EGLN1SCDUSP30SMN1; SMN2ALDH1A1
SCHEMBL3673960 0.92 EGLN1 (0.47) EGLN1SCDUSP30SMN1; SMN2ALDH1A1
SCHEMBL3669106 0.90 SCD (0.49) SCDUSP30HPGDSMN1; SMN2ALDH1A1
SCHEMBL3668913 0.89 FOLH1 (0.49) SCDUSP30HPGDSMN1; SMN2ALDH1A1
SCHEMBL3680606 0.88 FOLH1 (0.48) SCDUSP30HPGDSMN1; SMN2ALDH1A1
SCHEMBL3676988 0.86 SCD (0.47) EGLN1SCDUSP30HPGDSMN1; SMN2
SCHEMBL3674749 0.86 HPGD (0.49) EGLN1SCDUSP30HPGDSMN1; SMN2
SCHEMBL3676844 0.86 ME2 (0.49) EGLN1SCDUSP30HPGDSMN1; SMN2
SCHEMBL3667718 0.86 SCD (0.61) SCDUSP30HPGDSMN1; SMN2ALDH1A1

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 EGLN1 2179/4885SCD 10/4885USP30 4862/4885
US-20070087363-A1 Therapeutic methods, compounds and compositions APP, BACE1, PSEN1 EGLN1 2901/4885SCD 1186/4885USP30 1539/4885
US-20090197894-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS NAMPT, NNT, NNMT EGLN1 2179/4885SCD 10/4885USP30 4862/4885

“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.