SCHEMBL3669246

SCHEMBL3669246

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

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 1/20 0.46
FOLH1 Q04609 1/20 0.46
SCD O00767 1/20 0.46
RAB9A P51151 2/20 0.46
ENPP2 Q13822 1/20 0.45
LMNA P02545 2/20 0.43
CYP3A4 P08684 2/20 0.42
CXCR3 P49682 1/20 0.42
CNR1 P21554 1/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
DRD4 P21917 2/20 0.42
DRD2 P14416 1/20 0.42
DRD3 P35462 1/20 0.42
TP53 P04637 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
SCHEMBL3680059 0.99 FOLH1 (0.46) PANK3FOLH1SCDRAB9AENPP2
SCHEMBL3667605 0.97 PANK3 (0.47) PANK3FOLH1SCDRAB9AENPP2
SCHEMBL3677234 0.92 ENPP2 (0.44) PANK3FOLH1SCDRAB9AENPP2
SCHEMBL3673468 0.90 RAB9A (0.48) PANK3FOLH1SCDRAB9AENPP2
SCHEMBL3667818 0.90 TSHR (0.47) PANK3FOLH1SCDRAB9AENPP2
SCHEMBL3674518 0.89 TSHR (0.47) PANK3FOLH1SCDRAB9AENPP2
SCHEMBL3666676 0.89 HPGD (0.53) PANK3FOLH1SCDRAB9AENPP2
SCHEMBL3666259 0.89 SCD (0.58) PANK3FOLH1SCDRAB9AENPP2
SCHEMBL3672209 0.89 NPC1 (0.54) PANK3FOLH1SCDRAB9AENPP2
SCHEMBL3669164 0.88 NPC1 (0.54) PANK3FOLH1SCDRAB9AENPP2

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 PANK3 1531/4885FOLH1 2800/4885SCD 10/4885
US-20070087363-A1 Therapeutic methods, compounds and compositions APP, BACE1, PSEN1 PANK3 4000/4885FOLH1 3029/4885SCD 1186/4885
US-20090197894-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS NAMPT, NNT, NNMT PANK3 1531/4885FOLH1 2800/4885SCD 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.