SCHEMBL3674749

SCHEMBL3674749

CCOCCCNC(=O)c1ccc(N2CCN(C(=O)C(CC)CC)CC2)nc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.49
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
SMN1; SMN2 Q16637 4/20 0.48
EGLN1 Q9GZT9 2/20 0.48
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
USP30 Q70CQ3 2/20 0.47
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.46
NAMPT P43490 2/20 0.46
MAPT P10636 1/20 0.46
TSHR P16473 1/20 0.46
FOLH1 Q04609 1/20 0.46
SCD O00767 2/20 0.46
HTT P42858 1/20 0.44
P2RY12 Q9H244 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
SCHEMBL3670996 0.93 SMN1; SMN2 (0.47) HPGDRAB9ANPC1SMN1; SMN2EGLN1
SCHEMBL5586306 0.93 ME2 (0.44) HPGDRAB9ANPC1SMN1; SMN2EGLN1
SCHEMBL3667496 0.92 ALDH1A1 (0.50) RAB9ANPC1SMN1; SMN2EGLN1KMT2A
SCHEMBL3674697 0.90 TSHR (0.51) RAB9ANPC1SMN1; SMN2EGLN1KMT2A
SCHEMBL3668256 0.89 SCD (0.49) HPGDRAB9ANPC1SMN1; SMN2USP30
SCHEMBL3671433 0.88 NPC1 (0.49) HPGDRAB9ANPC1SMN1; SMN2EGLN1
SCHEMBL3672268 0.88 FOLH1 (0.51) HPGDRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL3674463 0.87 FOLH1 (0.50) RAB9ANPC1SMN1; SMN2KMT2AL3MBTL1
SCHEMBL3670141 0.86 EGLN1 (0.46) HPGDRAB9ANPC1SMN1; SMN2EGLN1
SCHEMBL3679918 0.85 NPC1 (0.48) HPGDRAB9ANPC1SMN1; SMN2EGLN1

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 7 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-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 (2 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 HPGD 104/4885RAB9A 1717/4885NPC1 94/4885
US-20090197894-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS NAMPT, NNT, NNMT HPGD 104/4885RAB9A 1717/4885NPC1 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.