SCHEMBL718314

SCHEMBL718314

CCOC(=O)CCN(C)C(=O)c1ccc(NC(CC(C)C)c2cn(-c3cccc(OCC)c3)nc2CC)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCG P01275 1/20 0.38
DGAT1 O75907 4/20 0.36
HDAC6 Q9UBN7 1/20 0.34
KDM4E B2RXH2 2/20 0.33
USP2 O75604 1/20 0.33
MAPT P10636 5/20 0.33
HTT P42858 2/20 0.33
NPC1 O15118 2/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
MEN1 O00255 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
IDH1 O75874 1/20 0.33
HPGD P15428 1/20 0.33
NOTUM Q6P988 1/20 0.33
TP53 P04637 1/20 0.32
FAAH O00519 1/20 0.32

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
SCHEMBL717241 0.93 GCG (0.44) GCGDGAT1HDAC6KDM4EUSP2
SCHEMBL717933 0.87 DGAT1 (0.46) GCGDGAT1
SCHEMBL717215 0.84 RAB9A (0.37) GCGDGAT1HDAC6KDM4EUSP2
SCHEMBL717949 0.81 GCG (0.41) GCGKDM4EMAPTLMNAMEN1
SCHEMBL717207 0.81 DGAT1 (0.47) GCGDGAT1
SCHEMBL720989 0.80 MAPT (0.37) MAPTALDH1A1MEN1RAB9AKMT2A
SCHEMBL721158 0.77 GCG (0.39) GCGDGAT1KDM4EUSP2MAPT
SCHEMBL717775 0.75 MAPT (0.39) GCGMAPTALDH1A1MEN1RAB9A
SCHEMBL14905742 0.75 MAPT (0.36) MAPTNPC1ALDH1A1MEN1RAB9A
SCHEMBL3099380 0.74 HSD17B2 (0.38) HDAC6MAPTNPC1ALDH1A1RAB9A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
US-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 US disclosed
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 US disclosed
EP-2251326-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-11-17 EP 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 (2 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-20120053173-A1 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP GCG 35/4885DGAT1 869/4885HDAC6 274/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP GCG 35/4885DGAT1 869/4885HDAC6 274/4885

“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.