SCHEMBL3674697

SCHEMBL3674697

CCC(CC)C(=O)N1CCN(c2ccc(C(=O)NCCCOC(C)C)cn2)CC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ALDH1A1 P00352 3/20 0.49
NAMPT P43490 3/20 0.49
EGLN1 Q9GZT9 2/20 0.48
SCD O00767 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
HTT P42858 1/20 0.47
FOLH1 Q04609 1/20 0.46
LMNA P02545 2/20 0.44
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
TP53 P04637 2/20 0.44
PKM P14618 1/20 0.44
GSK3B P49841 1/20 0.44
PAX8 Q06710 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 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
SCHEMBL3667496 0.92 ALDH1A1 (0.50) TSHRALDH1A1NAMPTEGLN1SCD
SCHEMBL3674749 0.90 HPGD (0.49) TSHRL3MBTL1ALDH1A1NAMPTEGLN1
SCHEMBL3670996 0.90 SMN1; SMN2 (0.47) TSHRL3MBTL1ALDH1A1NAMPTEGLN1
SCHEMBL3668256 0.89 SCD (0.49) TSHRALDH1A1NAMPTSCDSMN1; SMN2
SCHEMBL3671940 0.88 SCD (0.49) TSHRL3MBTL1ALDH1A1NAMPTEGLN1
SCHEMBL3672268 0.88 FOLH1 (0.51) TSHRL3MBTL1ALDH1A1NAMPTSCD
SCHEMBL3674463 0.87 FOLH1 (0.50) TSHRL3MBTL1ALDH1A1SCDSMN1; SMN2
SCHEMBL3673960 0.87 EGLN1 (0.47) TSHRL3MBTL1ALDH1A1NAMPTEGLN1
SCHEMBL3672900 0.86 SCD (0.62) TSHRALDH1A1NAMPTSCDSMN1; SMN2
SCHEMBL3668140 0.86 ME2 (0.48) TSHRL3MBTL1ALDH1A1NAMPTEGLN1

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
EP-1763350-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2007-03-21 EP claimed
WO-2006014168-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2006-02-09 WO 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 TSHR 2433/4885L3MBTL1 1863/4885ALDH1A1 1127/4885
US-20070087363-A1 Therapeutic methods, compounds and compositions APP, BACE1, PSEN1 TSHR 4310/4885L3MBTL1 3373/4885ALDH1A1 3898/4885
US-20090197894-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS NAMPT, NNT, NNMT TSHR 2433/4885L3MBTL1 1863/4885ALDH1A1 1127/4885

“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.