SCHEMBL3099831

SCHEMBL3099831

CCOCc1oc(-c2ccc(C(F)(F)F)cc2)cc1C(Oc1ccc(C(=O)N(C)CCC(=O)O)cc1)C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GCGR P47871 4/20 0.40
GCG P01275 2/20 0.37
MCHR1 Q99705 9/20 0.36
PPARD Q03181 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SLC6A5 Q9Y345 2/20 0.32
AKR1C3 P42330 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
SCHEMBL3090002 0.93 GCGR (0.41) GCGRGCGMCHR1PPARDMEN1
SCHEMBL3093895 0.93 GCGR (0.42) GCGRGCGMCHR1PPARDMEN1
SCHEMBL3107737 0.89 GCGR (0.52) GCGRGCG
SCHEMBL3110068 0.88 GCGR (0.42) GCGRGCGMCHR1PPARDMEN1
SCHEMBL3098966 0.88 GCGR (0.42) GCGRGCGMCHR1PPARDMEN1
SCHEMBL3101356 0.88 PPARD (0.41) GCGRGCGPPARDSLC6A5
SCHEMBL3106979 0.88 GCGR (0.43) GCGRGCGMCHR1PPARDMEN1
SCHEMBL3113352 0.87 GCGR (0.36) GCGRGCGMCHR1PPARDAKR1C3
SCHEMBL3100257 0.87 GCGR (0.37) GCGRGCGMCHR1SLC6A5
SCHEMBL3099604 0.81 GCGR (0.54) GCGRGCG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2210876-B1 HETEROCYCLIC COMPOUND AS GLUCAGON ANTAGONIST TAKEDA PHARMACEUTICAL (JP) 2015-05-20 EP disclosed
US-8309580-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-13 US disclosed
US-8309580-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-13 US disclosed
US-20100256156-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-07 US disclosed
US-20100256156-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-07 US disclosed
EP-2210876-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-07-28 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 (1 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-20100256156-A1 HETEROCYCLIC COMPOUND GLP1R, GPR119, GCGR GCGR 3/4885GCG 11/4885MCHR1 213/4885

“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.