SCHEMBL3667696

SCHEMBL3667696

CC(C(=O)N1CCN(c2ccc(C(=O)NCCc3cnc[nH]3)cn2)CC1)c1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.45
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
TSHR P16473 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
SCD O00767 2/20 0.43
PANK3 Q9H999 1/20 0.42
ENPP2 Q13822 1/20 0.42
MYC P01106 1/20 0.42
CYP3A4 P08684 2/20 0.41
PBK Q96KB5 1/20 0.41

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
SCHEMBL3672148 0.85 KMT2A (0.51) NAMPTRAB9ANPC1ALDH1A1LMNA
SCHEMBL3666259 0.84 SCD (0.58) NAMPTRAB9ANPC1ALDH1A1LMNA
SCHEMBL3667605 0.84 PANK3 (0.47) RAB9ANPC1ALDH1A1LMNAMAPT
SCHEMBL3669246 0.83 PANK3 (0.46) RAB9ANPC1ALDH1A1LMNAMAPT
SCHEMBL3670568 0.83 NPC1 (0.51) NAMPTRAB9ANPC1ALDH1A1LMNA
SCHEMBL3676814 0.83 NPC1 (0.51) NAMPTRAB9ANPC1ALDH1A1LMNA
SCHEMBL3673468 0.82 RAB9A (0.48) RAB9ANPC1ALDH1A1LMNAMAPT
SCHEMBL3680059 0.82 FOLH1 (0.46) NAMPTRAB9ANPC1ALDH1A1LMNA
SCHEMBL3673707 0.82 CYP3A4 (0.48) NAMPTRAB9ANPC1ALDH1A1LMNA
SCHEMBL3669164 0.82 NPC1 (0.54) NAMPTRAB9ANPC1ALDH1A1LMNA

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 NAMPT 1/4885RAB9A 1717/4885NPC1 94/4885
US-20070087363-A1 Therapeutic methods, compounds and compositions APP, BACE1, PSEN1 NAMPT 803/4885RAB9A 1976/4885NPC1 31/4885
US-20090197894-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS NAMPT, NNT, NNMT NAMPT 1/4885RAB9A 1717/4885NPC1 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.