SCHEMBL3673608

SCHEMBL3673608

CCCCOCCCNC(=O)c1ccc(N2CCN(C(=O)c3cccc4ccccc34)CC2)nc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 6/20 0.53
ALDH1A1 P00352 4/20 0.46
LMNA P02545 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MAPT P10636 3/20 0.46
TSHR P16473 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
NAMPT P43490 1/20 0.45
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
GAA P10253 1/20 0.42
HTR1A P08908 1/20 0.42
DRD2 P14416 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
DRD3 P35462 1/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 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
SCHEMBL3671923 0.94 SCD (0.54) SCDALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL3670766 0.93 SCD (0.58) SCDALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL3667645 0.92 SCD (0.57) SCDALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL3668221 0.91 SCD (0.56) SCDALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL3671799 0.91 SCD (0.56) SCDALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL3674355 0.89 SCD (0.58) SCDALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL3668264 0.89 SCD (0.54) SCDALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL3672044 0.87 LMNA (0.54) SCDALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL3673928 0.87 SCD (0.72) SCD
SCHEMBL3670071 0.86 SCD (0.51) SCDALDH1A1LMNASMN1; SMN2MAPT

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 1127/4885LMNA 175/4885
US-20070087363-A1 Therapeutic methods, compounds and compositions APP, BACE1, PSEN1 SCD 1186/4885ALDH1A1 3898/4885LMNA 369/4885
US-20090197894-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS NAMPT, NNT, NNMT SCD 10/4885ALDH1A1 1127/4885LMNA 175/4885

“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.