SCHEMBL3676241

SCHEMBL3676241

CC(C)CC(C)NC(=O)c1ccc(N2CCN(C(=O)CCC3CCCCC3)CC2)nc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 4/20 0.51
MC4R P32245 1/20 0.47
KDM4E B2RXH2 3/20 0.46
POLB P06746 2/20 0.46
KMT2A Q03164 1/20 0.45
HPGDS O60760 2/20 0.44
ALDH1A1 P00352 4/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CNR2 P34972 1/20 0.43
HDAC1 Q13547 1/20 0.42
TIPARP Q7Z3E1 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SCD O00767 1/20 0.42
CACNA1B Q00975 1/20 0.42
APBA1 Q02410 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL3674091 0.91 ALDH1A1 (0.53) ENPP2KDM4EHPGDSALDH1A1NPSR1
SCHEMBL3675248 0.90 ENPP2 (0.50) ENPP2KDM4EPOLBKMT2AALDH1A1
SCHEMBL3667578 0.85 SCD (0.59) ENPP2KDM4EPOLBKMT2AHPGDS
SCHEMBL3671047 0.84 ME2 (0.46) ENPP2ALDH1A1HDAC1TIPARPHDAC6
SCHEMBL3669566 0.83 ENPP2 (0.46) ENPP2MC4RKDM4EPOLBKMT2A
SCHEMBL3670777 0.81 ALDH1A1 (0.49) ENPP2POLBKMT2AALDH1A1HPGD
SCHEMBL3667683 0.81 SMYD3 (0.48) ENPP2KDM4EPOLBKMT2AHPGDS
SCHEMBL3672206 0.81 ALDH1A1 (0.53) ENPP2KDM4EHPGDSALDH1A1HPGD
SCHEMBL3673395 0.80 SCD (0.43) ENPP2KDM4EKMT2AALDH1A1HPGD
SCHEMBL3672182 0.80 ALDH1A1 (0.46) ENPP2KDM4EPOLBKMT2AHPGDS

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 ENPP2 910/4885MC4R 440/4885KDM4E 3385/4885
US-20070087363-A1 Therapeutic methods, compounds and compositions APP, BACE1, PSEN1 ENPP2 175/4885MC4R 3466/4885KDM4E 4395/4885
US-20090197894-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS NAMPT, NNT, NNMT ENPP2 910/4885MC4R 440/4885KDM4E 3385/4885

“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.