SCHEMBL3679020

SCHEMBL3679020

CC(C)OCCCNC(=O)c1ccc(N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)nc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCD O00767 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.47
EGLN1 Q9GZT9 3/20 0.46
DRD4 P21917 1/20 0.44
TSHR P16473 1/20 0.43
MAPT P10636 1/20 0.43
FOLH1 Q04609 1/20 0.42
NAMPT P43490 1/20 0.42
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 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
SCHEMBL3666675 0.93 SCD (0.51) SCDL3MBTL1EGLN1DRD4TSHR
SCHEMBL3675677 0.92 SCD (0.49) SCDL3MBTL1EGLN1DRD4ALDH1A1
SCHEMBL3671870 0.90 SCD (0.47) SCDL3MBTL1EGLN1DRD4TSHR
SCHEMBL3672871 0.89 SCD (0.47) SCDL3MBTL1EGLN1DRD4TSHR
SCHEMBL3679411 0.89 L3MBTL1 (0.51) SCDL3MBTL1DRD4FOLH1ALDH1A1
SCHEMBL3675682 0.88 SCD (0.50) SCDL3MBTL1DRD4FOLH1ALDH1A1
SCHEMBL3673909 0.88 SCD (0.50) SCDL3MBTL1EGLN1DRD4TSHR
SCHEMBL3672523 0.88 SCD (0.66) SCDL3MBTL1DRD4TSHRMAPT
SCHEMBL3669470 0.87 CNR1 (0.50) SCDL3MBTL1DRD4FOLH1ALDH1A1
SCHEMBL3674461 0.86 LMNA (0.55) SCDL3MBTL1EGLN1TSHRFOLH1

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 SCD 10/4885L3MBTL1 1863/4885EGLN1 2179/4885
US-20070087363-A1 Therapeutic methods, compounds and compositions APP, BACE1, PSEN1 SCD 1186/4885L3MBTL1 3373/4885EGLN1 2901/4885
US-20090197894-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS NAMPT, NNT, NNMT SCD 10/4885L3MBTL1 1863/4885EGLN1 2179/4885

“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.