SCHEMBL3669155

SCHEMBL3669155

CC(C)CCNC(=O)c1ccc(N2CCN(C(=O)Cc3c(F)cccc3Cl)CC2)nc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 2/20 0.57
KMT2A Q03164 4/20 0.48
MAPT P10636 2/20 0.48
DGAT1 O75907 1/20 0.47
TP53 P04637 1/20 0.47
KDM4E B2RXH2 1/20 0.46
SLC2A1 P11166 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
NAMPT P43490 2/20 0.43
MEN1 O00255 1/20 0.43
RET P07949 1/20 0.43
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
RAB9A P51151 1/20 0.42
HTR1A P08908 1/20 0.42
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
ADRA1D P25100 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
SCHEMBL3668201 0.89 KMT2A (0.49) SCDKMT2AMAPTTP53KDM4E
SCHEMBL3667707 0.89 TP53 (0.48) SCDKMT2AMAPTTP53KDM4E
SCHEMBL3668960 0.88 KMT2A (0.48) SCDKMT2AMAPTTP53KDM4E
SCHEMBL3669157 0.87 ALDH1A1 (0.49) SCDKMT2AMAPTKDM4ESLC2A1
SCHEMBL3677830 0.87 KMT2A (0.48) SCDKMT2AMAPTTP53KDM4E
SCHEMBL3669365 0.87 KMT2A (0.48) SCDKMT2AMAPTDGAT1KDM4E
SCHEMBL3669471 0.87 KMT2A (0.47) SCDKMT2AMAPTKDM4ESLC2A1
SCHEMBL3669635 0.87 KMT2A (0.47) SCDKMT2AMAPTTP53KDM4E
SCHEMBL3676799 0.86 KMT2A (0.48) SCDKMT2AMAPTDGAT1KDM4E
SCHEMBL3668397 0.86 SCD (0.58) SCDKMT2AMAPTTP53KDM4E

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 SCD 10/4885KMT2A 3998/4885MAPT 2923/4885
US-20070087363-A1 Therapeutic methods, compounds and compositions APP, BACE1, PSEN1 SCD 1186/4885KMT2A 3153/4885MAPT 7/4885
US-20090197894-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS NAMPT, NNT, NNMT SCD 10/4885KMT2A 3998/4885MAPT 2923/4885

“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.