SCHEMBL3674066

SCHEMBL3674066

CC(C)CCNC(=O)c1ccc(N2CCN(C(=O)c3ccccc3Br)CC2)nc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 4/20 0.76
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
NAMPT P43490 1/20 0.49
ALDH1A1 P00352 6/20 0.48
SMN1; SMN2 Q16637 6/20 0.48
MAPT P10636 4/20 0.48
RAB9A P51151 4/20 0.48
LMNA P02545 4/20 0.48
NPC1 O15118 3/20 0.48
TSHR P16473 2/20 0.48
GRM5 P41594 1/20 0.46
HTT P42858 3/20 0.45
KDM4E B2RXH2 3/20 0.45
NPSR1 Q6W5P4 2/20 0.45
TP53 P04637 1/20 0.45
HPGD P15428 1/20 0.45
FOLH1 Q04609 1/20 0.44
POLB P06746 1/20 0.43
EPHX2 P34913 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
SCHEMBL14172994 0.88 SCD (0.59) SCDMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL3666514 0.87 SCD (0.59) SCDMEN1KMT2ANAMPTALDH1A1
SCHEMBL3671826 0.87 SCD (0.73) SCDNAMPTALDH1A1SMN1; SMN2MAPT
SCHEMBL3672620 0.87 SCD (0.58) SCDMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL3669750 0.86 SCD (1.00) SCD
SCHEMBL3666518 0.86 SCD (0.57) SCDMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL3674847 0.86 SCD (0.57) SCDMEN1KMT2ANAMPTALDH1A1
SCHEMBL3672865 0.86 SCD (0.57) SCDMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL3666086 0.86 SCD (0.72) SCDNAMPTALDH1A1SMN1; SMN2MAPT
SCHEMBL3675983 0.86 SCD (0.62) SCDKMT2ANAMPTALDH1A1SMN1; 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 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
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-7390813-B1 Pyridylpiperazines and aminonicotinamides and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2008-06-24 US disclosed
US-7390813-B1 Pyridylpiperazines and aminonicotinamides and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2008-06-24 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.