SCHEMBL3668124

SCHEMBL3668124

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 3/20 0.62
NAMPT P43490 1/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 5/20 0.47
RAB9A P51151 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
NPC1 O15118 3/20 0.47
MAPT P10636 2/20 0.47
LMNA P02545 1/20 0.47
TSHR P16473 1/20 0.47
GRM5 P41594 1/20 0.46
KDM4E B2RXH2 4/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ME2 P23368 1/20 0.44
ME1 P48163 1/20 0.44
ME3 Q16798 1/20 0.44

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
SCHEMBL3673257 0.89 SCD (0.56) SCDNAMPTALDH1A1RAB9ASMN1; SMN2
SCHEMBL3667716 0.88 ALDH1A1 (0.48) SCDKMT2AMEN1ALDH1A1RAB9A
SCHEMBL3669002 0.88 SCD (0.48) SCDNAMPTKMT2AMEN1ALDH1A1
SCHEMBL3670440 0.87 ALDH1A1 (0.47) SCDKMT2AMEN1ALDH1A1RAB9A
SCHEMBL3674079 0.87 RAB9A (0.64) SCDKMT2AMEN1ALDH1A1RAB9A
SCHEMBL3670478 0.86 ALDH1A1 (0.46) SCDKMT2AMEN1ALDH1A1RAB9A
SCHEMBL3667949 0.86 ALDH1A1 (0.47) SCDKMT2AMEN1ALDH1A1RAB9A
SCHEMBL3677650 0.86 SCD (0.46) SCDNAMPTKMT2AMEN1ALDH1A1
SCHEMBL3670004 0.85 ALDH1A1 (0.46) SCDKMT2AMEN1ALDH1A1RAB9A
SCHEMBL3673137 0.85 SMN1; SMN2 (0.57) SCDNAMPTKMT2AMEN1ALDH1A1

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
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-7390813-B1 Pyridylpiperazines and aminonicotinamides and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2008-06-24 US disclosed
US-7390813-B1 Pyridylpiperazines and aminonicotinamides and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2008-06-24 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 10/4885NAMPT 1/4885KMT2A 3998/4885
US-20070087363-A1 Therapeutic methods, compounds and compositions APP, BACE1, PSEN1 SCD 1186/4885NAMPT 803/4885KMT2A 3153/4885
US-20090197894-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS NAMPT, NNT, NNMT SCD 10/4885NAMPT 1/4885KMT2A 3998/4885

“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.