SCHEMBL717667

SCHEMBL717667

CCOC(=O)CCN(C)C(=O)c1ccc(NC(c2cn(-c3cc(C(F)(F)F)ccn3)nc2COC)C2CCCCC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GCG P01275 13/20 0.37
IDH1 O75874 1/20 0.33
GLP1R P43220 1/20 0.32
GCGR P47871 1/20 0.32
GIPR P48546 1/20 0.32
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
FPR2 P25090 1/20 0.31
NR1H2 P55055 1/20 0.31
RAF1 P04049 1/20 0.30

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
SCHEMBL719018 0.93 GCG (0.42) GCGGLP1RGCGRGIPR
SCHEMBL722925 0.87 IDH1 (0.34) GCGIDH1
SCHEMBL14905742 0.84 MAPT (0.36) IDH1ALDH1A1
SCHEMBL719447 0.83 GCG (0.50) GCGGLP1RGCGRGIPR
SCHEMBL719003 0.83 GCG (0.35) GCGGLP1RGCGRGIPR
SCHEMBL27946266 0.82 NTSR1 (0.34) GCGIDH1ALDH1A1L3MBTL1
SCHEMBL717215 0.80 RAB9A (0.37) GCGIDH1ALDH1A1GAAL3MBTL1
SCHEMBL720377 0.79 GCG (0.38) GCGGLP1RGCGRGIPR
SCHEMBL720989 0.79 MAPT (0.37) IDH1ALDH1A1
SCHEMBL716574 0.79 IDH1 (0.34) GCGIDH1NR1H2

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 35/4885IDH1 322/4885GLP1R 5/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP GCG 35/4885IDH1 322/4885GLP1R 5/4885

“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.