SCHEMBL3674061

SCHEMBL3674061

CCC(C)CNC(=O)c1ccc(N2CCN(C(=O)C(CC)c3ccccc3)CC2)nc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 2/20 0.48
ALDH1A1 P00352 7/20 0.46
TSHR P16473 4/20 0.46
RAB9A P51151 4/20 0.46
LMNA P02545 3/20 0.46
NPC1 O15118 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MAPT P10636 2/20 0.46
NAMPT P43490 2/20 0.46
MAPK1 P28482 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
RECQL P46063 1/20 0.46
GAA P10253 1/20 0.46
P2RY12 Q9H244 1/20 0.46
PRMT5 O14744 2/20 0.44
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 3/20 0.43
ADRB2 P07550 1/20 0.43
HDAC1 Q13547 1/20 0.42
HSD17B10 Q99714 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
SCHEMBL3670314 0.88 SCD (0.63) SCDALDH1A1TSHRRAB9ALMNA
SCHEMBL3670572 0.87 SCD (0.47) SCDALDH1A1TSHRRAB9ALMNA
SCHEMBL3669122 0.86 ALDH1A1 (0.51) SCDALDH1A1TSHRRAB9ALMNA
SCHEMBL3675159 0.86 ALDH1A1 (0.50) SCDALDH1A1TSHRRAB9ALMNA
SCHEMBL3677314 0.86 RAB9A (0.65) SCDALDH1A1TSHRRAB9ALMNA
SCHEMBL3669515 0.85 ALDH1A1 (0.49) SCDALDH1A1TSHRRAB9ALMNA
SCHEMBL3671940 0.84 SCD (0.49) SCDALDH1A1TSHRRAB9ALMNA
SCHEMBL3680178 0.84 ALDH1A1 (0.48) SCDALDH1A1TSHRRAB9ALMNA
SCHEMBL3669737 0.84 RAB9A (0.58) SCDALDH1A1TSHRRAB9ALMNA
SCHEMBL3669140 0.84 ALDH1A1 (0.48) SCDALDH1A1TSHRRAB9ALMNA

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 10/4885ALDH1A1 1127/4885TSHR 2433/4885
US-20070087363-A1 Therapeutic methods, compounds and compositions APP, BACE1, PSEN1 SCD 1186/4885ALDH1A1 3898/4885TSHR 4310/4885
US-20090197894-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS NAMPT, NNT, NNMT SCD 10/4885ALDH1A1 1127/4885TSHR 2433/4885

“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.