SCHEMBL3669445

SCHEMBL3669445

COCCCNC(=O)c1ccc(N2CCN(C(=O)c3cccnc3Cl)CC2)nc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCD O00767 2/20 0.54
POLB P06746 1/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 2/20 0.47
KDM4E B2RXH2 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 4/20 0.45
HSD17B10 Q99714 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.44
NPC1 O15118 1/20 0.44
TSHR P16473 1/20 0.44
RAB9A P51151 1/20 0.44
EGLN1 Q9GZT9 2/20 0.44
DRD4 P21917 2/20 0.44
SLC2A1 P11166 1/20 0.44
DRD2 P14416 1/20 0.43
DRD3 P35462 1/20 0.43

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
SCHEMBL3674299 0.92 SCD (0.52) SCDPOLBLMNAMAPTKDM4E
SCHEMBL3673517 0.92 SCD (0.56) SCDPOLBLMNAMAPTKDM4E
SCHEMBL3670071 0.91 SCD (0.51) SCDPOLBLMNAMAPTKDM4E
SCHEMBL3669692 0.91 SCD (0.56) SCDPOLBLMNAMAPTKDM4E
SCHEMBL3671646 0.90 SCD (0.55) SCDPOLBLMNAMAPTKDM4E
SCHEMBL3669187 0.89 SCD (0.54) SCDPOLBLMNAMAPTKDM4E
SCHEMBL3666232 0.88 SCD (0.53) SCDPOLBLMNAMAPTKDM4E
SCHEMBL3670788 0.86 SCD (0.66) SCDLMNAMAPTKDM4ESMN1; SMN2
SCHEMBL3666086 0.86 SCD (0.72) SCDPOLBLMNAMAPTKDM4E
SCHEMBL3666518 0.86 SCD (0.57) SCDLMNAMAPTKDM4ESMN1; SMN2

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 10/4885POLB 1794/4885LMNA 175/4885
US-20070087363-A1 Therapeutic methods, compounds and compositions APP, BACE1, PSEN1 SCD 1186/4885POLB 3371/4885LMNA 369/4885
US-20090197894-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS NAMPT, NNT, NNMT SCD 10/4885POLB 1794/4885LMNA 175/4885

“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.