SCHEMBL3669002

SCHEMBL3669002

Cc1ccccc1CC(=O)N1CCN(c2ccc(C(=O)NCCCOC(C)C)cn2)CC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCD O00767 2/20 0.48
ALDH1A1 P00352 3/20 0.44
TSHR P16473 2/20 0.44
NAMPT P43490 2/20 0.44
EGLN1 Q9GZT9 1/20 0.44
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 2/20 0.43
FOLH1 Q04609 1/20 0.43
GSK3B P49841 1/20 0.42
P2RY12 Q9H244 1/20 0.42
PAX8 Q06710 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
SCHEMBL3667949 0.92 ALDH1A1 (0.47) SCDALDH1A1TSHREGLN1NPC1
SCHEMBL3675160 0.90 RAB9A (0.47) SCDALDH1A1TSHRNAMPTEGLN1
SCHEMBL3674053 0.89 ALDH1A1 (0.46) SCDALDH1A1TSHRNAMPTNPC1
SCHEMBL3667716 0.88 ALDH1A1 (0.48) SCDALDH1A1TSHRNPC1LMNA
SCHEMBL3670440 0.88 ALDH1A1 (0.47) SCDALDH1A1TSHRNPC1LMNA
SCHEMBL3668124 0.88 SCD (0.62) SCDALDH1A1TSHRNAMPTNPC1
SCHEMBL3670478 0.87 ALDH1A1 (0.46) SCDALDH1A1TSHRNPC1LMNA
SCHEMBL3673137 0.86 SMN1; SMN2 (0.57) SCDALDH1A1TSHRNAMPTNPC1
SCHEMBL3673900 0.86 SMN1; SMN2 (0.51) SCDALDH1A1TSHRNAMPTEGLN1
SCHEMBL3677649 0.86 ALDH1A1 (0.46) SCDALDH1A1TSHRNAMPTEGLN1

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.