SCHEMBL3677083

SCHEMBL3677083

CCC(C)CNC(=O)c1ccc(N2CCN(C(=O)c3cccs3)CC2)nc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCD O00767 2/20 0.53
ALDH1A1 P00352 7/20 0.51
HPGD P15428 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
TSHR P16473 3/20 0.50
PKM P14618 1/20 0.50
MAPK1 P28482 1/20 0.45
MAPT P10636 4/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
POLB P06746 1/20 0.43
HTT P42858 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
SCHEMBL3671242 0.86 SCD (0.70) SCDALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL3671120 0.85 SCD (0.54) SCDALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL3669824 0.84 SCD (0.46) SCDALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL3672863 0.84 SCD (0.54) SCDALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL3674060 0.83 SCD (0.53) SCDALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL3667651 0.83 SCD (0.51) SCDALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL3677148 0.83 SMN1; SMN2 (0.58) SCDALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL3671358 0.83 SCD (0.77) SCD
SCHEMBL3677217 0.83 SCD (0.52) SCDALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL3676801 0.82 SCD (0.51) SCDALDH1A1HPGDSMN1; SMN2NPC1

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 10/4885ALDH1A1 1127/4885HPGD 104/4885
US-20070087363-A1 Therapeutic methods, compounds and compositions APP, BACE1, PSEN1 SCD 1186/4885ALDH1A1 3898/4885HPGD 3301/4885
US-20090197894-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS NAMPT, NNT, NNMT SCD 10/4885ALDH1A1 1127/4885HPGD 104/4885

“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.