SCHEMBL3672900

SCHEMBL3672900

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

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCD O00767 3/20 0.62
NAMPT P43490 5/20 0.48
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
LMNA P02545 1/20 0.47
TSHR P16473 1/20 0.47
FOLH1 Q04609 1/20 0.47
GRM5 P41594 1/20 0.45
USP30 Q70CQ3 2/20 0.45
KDM4E B2RXH2 1/20 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
HRH3 Q9Y5N1 2/20 0.42
P2RY12 Q9H244 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
SCHEMBL3668256 0.88 SCD (0.49) SCDNAMPTNPC1RAB9ASMN1; SMN2
SCHEMBL3672268 0.88 FOLH1 (0.51) SCDNAMPTNPC1RAB9ASMN1; SMN2
SCHEMBL3670314 0.87 SCD (0.63) SCDNAMPTNPC1RAB9ASMN1; SMN2
SCHEMBL3674463 0.87 FOLH1 (0.50) SCDNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3670572 0.86 SCD (0.47) SCDNAMPTNPC1RAB9ASMN1; SMN2
SCHEMBL3674697 0.86 TSHR (0.51) SCDNAMPTNPC1RAB9ASMN1; SMN2
SCHEMBL3667718 0.86 SCD (0.61) SCDNAMPTNPC1RAB9ASMN1; SMN2
SCHEMBL3667496 0.86 ALDH1A1 (0.50) SCDNAMPTNPC1RAB9ASMN1; SMN2
SCHEMBL3673229 0.86 SCD (0.47) SCDNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3672660 0.85 RAB9A (0.67) SCDNPC1RAB9ASMN1; SMN2ALDH1A1

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 10/4885NAMPT 1/4885NPC1 94/4885
US-20070087363-A1 Therapeutic methods, compounds and compositions APP, BACE1, PSEN1 SCD 1186/4885NAMPT 803/4885NPC1 31/4885
US-20090197894-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS NAMPT, NNT, NNMT SCD 10/4885NAMPT 1/4885NPC1 94/4885

“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.