SCHEMBL3669540

SCHEMBL3669540

CCCC(C)NC(=O)c1ccc(N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.49
SCD O00767 2/20 0.47
HSD17B10 Q99714 1/20 0.43
POLB P06746 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
PANK3 Q9H999 1/20 0.41
MGLL Q99685 2/20 0.41
P2RX7 Q99572 1/20 0.41
RAB9A P51151 2/20 0.41
PPARG P37231 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
MAPT P10636 1/20 0.41
KDM4E B2RXH2 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL3667556 0.93 HSD17B10 (0.52) L3MBTL1SCDHSD17B10TAS1R3TAS1R1
SCHEMBL3672107 0.90 L3MBTL1 (0.50) L3MBTL1SCDHSD17B10PANK3MGLL
SCHEMBL3679255 0.89 POLB (0.58) L3MBTL1SCDHSD17B10POLBTAS1R3
SCHEMBL3668909 0.87 SCD (0.46) SCDHSD17B10POLBTAS1R3TAS1R1
SCHEMBL3675641 0.85 KDM4E (0.57) L3MBTL1SCDPOLBPANK3RAB9A
SCHEMBL3679411 0.85 L3MBTL1 (0.51) L3MBTL1SCDHSD17B10POLBALDH1A1
SCHEMBL3672523 0.85 SCD (0.66) L3MBTL1SCDHSD17B10RAB9AMAPT
SCHEMBL3670643 0.84 SCD (0.49) L3MBTL1SCDHSD17B10PANK3MGLL
SCHEMBL3669018 0.84 SCD (0.53) SCDHSD17B10POLBMAPTKDM4E
SCHEMBL3675682 0.83 SCD (0.50) L3MBTL1SCDHSD17B10POLBALDH1A1

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 L3MBTL1 1863/4885SCD 10/4885HSD17B10 836/4885
US-20070087363-A1 Therapeutic methods, compounds and compositions APP, BACE1, PSEN1 L3MBTL1 3373/4885SCD 1186/4885HSD17B10 3221/4885
US-20090197894-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS NAMPT, NNT, NNMT L3MBTL1 1863/4885SCD 10/4885HSD17B10 836/4885

“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.