SCHEMBL3674449

SCHEMBL3674449

CC(C)CCNC(=O)c1ccc(N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)nc1

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCD O00767 4/20 0.74
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
CYP1A2 P05177 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
LMNA P02545 5/20 0.52
HTT P42858 4/20 0.52
ALDH1A1 P00352 2/20 0.52
SMN1; SMN2 Q16637 6/20 0.51
NAMPT P43490 2/20 0.51
KDM4E B2RXH2 4/20 0.49
HPGD P15428 1/20 0.48
MGLL Q99685 1/20 0.48
PANK3 Q9H999 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL3671192 0.90 SCD (0.71) SCDMEN1KMT2ACYP1A2CYP2C9
SCHEMBL3677471 0.87 MEN1 (0.61) SCDMEN1KMT2ACYP1A2CYP2C9
SCHEMBL3667551 0.87 SCD (0.58) SCDMEN1KMT2ACYP1A2CYP2C9
SCHEMBL3668005 0.86 MEN1 (0.60) SCDMEN1KMT2ACYP1A2CYP2C9
SCHEMBL3669647 0.86 MEN1 (0.59) SCDMEN1KMT2ACYP1A2CYP2C9
SCHEMBL3672612 0.86 MEN1 (0.59) SCDMEN1KMT2ACYP1A2CYP2C9
SCHEMBL3676243 0.86 MEN1 (0.59) SCDMEN1KMT2ACYP1A2CYP2C9
SCHEMBL3669750 0.85 SCD (1.00) SCD
SCHEMBL3667220 0.85 MEN1 (0.58) SCDMEN1KMT2ACYP1A2CYP2C9
SCHEMBL3666678 0.85 MEN1 (0.58) SCDMEN1KMT2ACYP1A2CYP2C9

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 12 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
CN-1997371-A Nicotinamide derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC (CA) 2007-07-11 CN claimed
EP-1763350-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2007-03-21 EP claimed
WO-2006014168-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2006-02-09 WO 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
CN-1997371-A Nicotinamide derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC (CA) 2007-07-11 CN 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 10/4885MEN1 1428/4885KMT2A 3998/4885
US-20070087363-A1 Therapeutic methods, compounds and compositions APP, BACE1, PSEN1 SCD 1186/4885MEN1 2723/4885KMT2A 3153/4885
US-20090197894-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS NAMPT, NNT, NNMT SCD 10/4885MEN1 1428/4885KMT2A 3998/4885

“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.