SCHEMBL3090002

SCHEMBL3090002

COCc1oc(-c2ccc(C(F)(F)F)cc2)cc1C(Oc1ccc(C(=O)N(C)CCC(=O)O)cc1)C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GCGR P47871 4/20 0.41
GCG P01275 2/20 0.38
MCHR1 Q99705 8/20 0.37
PPARD Q03181 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SLC6A9 P48067 2/20 0.33
HDAC4 P56524 1/20 0.33
SLC6A5 Q9Y345 1/20 0.33

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
SCHEMBL3099831 0.93 GCGR (0.40) GCGRGCGMCHR1PPARDMEN1
SCHEMBL3093895 0.93 GCGR (0.42) GCGRGCGMCHR1PPARDMEN1
SCHEMBL3110068 0.90 GCGR (0.42) GCGRGCGMCHR1PPARDMEN1
SCHEMBL3098966 0.90 GCGR (0.42) GCGRGCGMCHR1PPARDMEN1
SCHEMBL3106979 0.89 GCGR (0.43) GCGRGCGMCHR1PPARDMEN1
SCHEMBL3099604 0.88 GCGR (0.54) GCGRGCG
SCHEMBL3112814 0.88 PPARD (0.42) GCGRGCGPPARDMEN1KMT2A
SCHEMBL3112952 0.87 GCGR (0.38) GCGRGCGMCHR1PPARDSLC6A5
SCHEMBL3102139 0.82 GCGR (0.46) GCGRGCGMCHR1PPARDMEN1
SCHEMBL3091354 0.82 MAPT (0.40) SLC6A9

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.