SCHEMBL3672213

SCHEMBL3672213

CCCCC(=O)N1CCN(c2ccc(C(=O)NCCc3cnc[nH]3)cn2)CC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.52
NAMPT P43490 2/20 0.48
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
TSHR P16473 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MYC P01106 1/20 0.47
CYP3A4 P08684 1/20 0.46
ME2 P23368 1/20 0.44
ME1 P48163 1/20 0.44
ME3 Q16798 1/20 0.44
SCD O00767 1/20 0.44
MEN1 O00255 1/20 0.43
BRD4 O60885 1/20 0.42
FOLH1 Q04609 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
SCHEMBL3676275 0.86 KMT2A (0.48) KMT2ANAMPTNPC1ALDH1A1LMNA
SCHEMBL3678750 0.86 FOLH1 (0.51) NAMPTNPC1ALDH1A1LMNAMAPT
SCHEMBL3676977 0.85 FOLH1 (0.52) NPC1ALDH1A1LMNAMAPTTSHR
SCHEMBL3672148 0.85 KMT2A (0.51) KMT2ANAMPTNPC1ALDH1A1LMNA
SCHEMBL3677850 0.84 ALDH1A1 (0.47) KMT2ANAMPTNPC1ALDH1A1LMNA
SCHEMBL3671810 0.84 SMN1; SMN2 (0.49) KMT2ANAMPTNPC1ALDH1A1LMNA
SCHEMBL3670671 0.84 FOLH1 (0.51) KMT2ANPC1ALDH1A1LMNAMAPT
SCHEMBL3676958 0.83 RAB9A (0.66) KMT2ANAMPTNPC1ALDH1A1LMNA
SCHEMBL3674349 0.83 ME2 (0.47) KMT2ANAMPTNPC1ALDH1A1LMNA
SCHEMBL3670776 0.83 NPC1 (0.49) KMT2ANAMPTNPC1ALDH1A1LMNA

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 KMT2A 3998/4885NAMPT 1/4885NPC1 94/4885
US-20070087363-A1 Therapeutic methods, compounds and compositions APP, BACE1, PSEN1 KMT2A 3153/4885NAMPT 803/4885NPC1 31/4885
US-20090197894-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS NAMPT, NNT, NNMT KMT2A 3998/4885NAMPT 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.