SCHEMBL3673468

SCHEMBL3673468

COCCCNC(=O)c1ccc(N2CCN(C(=O)C(C)c3ccc(Cl)cc3)CC2)nc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.48
PANK3 Q9H999 1/20 0.46
SCD O00767 1/20 0.46
DRD4 P21917 1/20 0.45
ENPP2 Q13822 1/20 0.45
ALDH1A1 P00352 2/20 0.45
FOLH1 Q04609 1/20 0.44
LMNA P02545 2/20 0.42
CYP3A4 P08684 1/20 0.42
EGLN1 Q9GZT9 2/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 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
SCHEMBL3674518 0.94 TSHR (0.47) RAB9APANK3SCDDRD4ENPP2
SCHEMBL3667818 0.92 TSHR (0.47) RAB9APANK3SCDENPP2FOLH1
SCHEMBL3677234 0.91 ENPP2 (0.44) RAB9APANK3SCDDRD4ENPP2
SCHEMBL3667605 0.91 PANK3 (0.47) RAB9APANK3SCDDRD4ENPP2
SCHEMBL3669246 0.90 PANK3 (0.46) RAB9APANK3SCDDRD4ENPP2
SCHEMBL3680059 0.89 FOLH1 (0.46) RAB9APANK3SCDDRD4ENPP2
SCHEMBL3666676 0.89 HPGD (0.53) RAB9APANK3SCDENPP2ALDH1A1
SCHEMBL3666259 0.88 SCD (0.58) RAB9APANK3SCDDRD4ENPP2
SCHEMBL3669164 0.87 NPC1 (0.54) RAB9APANK3SCDENPP2ALDH1A1
SCHEMBL3672209 0.86 NPC1 (0.54) RAB9APANK3SCDDRD4ENPP2

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 RAB9A 1717/4885PANK3 1531/4885SCD 10/4885
US-20070087363-A1 Therapeutic methods, compounds and compositions APP, BACE1, PSEN1 RAB9A 1976/4885PANK3 4000/4885SCD 1186/4885
US-20090197894-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS NAMPT, NNT, NNMT RAB9A 1717/4885PANK3 1531/4885SCD 10/4885

“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.