SCHEMBL3666086

SCHEMBL3666086

CC(C)CCNC(=O)c1ccc(N2CCN(C(=O)c3cccnc3Cl)CC2)nc1

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCD O00767 4/20 0.72
LMNA P02545 2/20 0.47
MAPT P10636 2/20 0.47
NAMPT P43490 2/20 0.46
POLB P06746 1/20 0.45
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
TSHR P16473 1/20 0.45
RAB9A P51151 1/20 0.45
GRM5 P41594 1/20 0.43
FOLH1 Q04609 1/20 0.43
GAA P10253 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
SCHEMBL3669692 0.88 SCD (0.56) SCDLMNAMAPTNAMPTPOLB
SCHEMBL3673517 0.88 SCD (0.56) SCDLMNAMAPTNAMPTPOLB
SCHEMBL3671646 0.87 SCD (0.55) SCDLMNAMAPTPOLBALDH1A1
SCHEMBL3666679 0.86 SCD (0.54) SCDLMNAMAPTPOLBALDH1A1
SCHEMBL3669187 0.86 SCD (0.54) SCDLMNAMAPTPOLBALDH1A1
SCHEMBL3669445 0.86 SCD (0.54) SCDLMNAMAPTPOLBALDH1A1
SCHEMBL3672562 0.86 SCD (0.54) SCDLMNAMAPTPOLBALDH1A1
SCHEMBL3674066 0.86 SCD (0.76) SCDLMNAMAPTNAMPTPOLB
SCHEMBL3673965 0.85 SCD (0.53) SCDLMNAMAPTPOLBALDH1A1
SCHEMBL3669018 0.85 SCD (0.53) SCDLMNAMAPTPOLBALDH1A1

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 SCD 10/4885LMNA 175/4885MAPT 2923/4885
US-20070087363-A1 Therapeutic methods, compounds and compositions APP, BACE1, PSEN1 SCD 1186/4885LMNA 369/4885MAPT 7/4885
US-20090197894-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS NAMPT, NNT, NNMT SCD 10/4885LMNA 175/4885MAPT 2923/4885

“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.