SCHEMBL3674465

SCHEMBL3674465

CN(C)CCCNC(=O)c1ccc(N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)nc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCD O00767 4/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
EGLN1 Q9GZT9 3/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
TMEM97 Q5BJF2 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
FYN P06241 2/20 0.43
DRD4 P21917 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
POLB P06746 1/20 0.42
MAPK8 P45983 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
SCHEMBL3678286 0.93 SCD (0.54) SCDEGLN1NPC1RAB9AFYN
SCHEMBL3679411 0.90 L3MBTL1 (0.51) SCDL3MBTL1DRD4HSD17B10POLB
SCHEMBL3675682 0.89 SCD (0.50) SCDL3MBTL1DRD4HSD17B10POLB
SCHEMBL3669470 0.89 CNR1 (0.50) SCDL3MBTL1DRD4HSD17B10POLB
SCHEMBL3675677 0.89 SCD (0.49) SCDL3MBTL1EGLN1RAB9ADRD4
SCHEMBL3674464 0.87 SCD (0.47) SCDEGLN1NPC1RAB9ATMEM97
SCHEMBL3679020 0.86 SCD (0.51) SCDL3MBTL1EGLN1RAB9ADRD4
SCHEMBL3671870 0.86 SCD (0.47) SCDL3MBTL1EGLN1NPC1RAB9A
SCHEMBL3675294 0.86 SMN1; SMN2 (0.56) SCDEGLN1NPC1RAB9AKMT2A
SCHEMBL3672523 0.86 SCD (0.66) SCDL3MBTL1NPC1RAB9ADRD4

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 10/4885L3MBTL1 1863/4885EGLN1 2179/4885
US-20070087363-A1 Therapeutic methods, compounds and compositions APP, BACE1, PSEN1 SCD 1186/4885L3MBTL1 3373/4885EGLN1 2901/4885
US-20090197894-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS NAMPT, NNT, NNMT SCD 10/4885L3MBTL1 1863/4885EGLN1 2179/4885

“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.