SCHEMBL3090801

SCHEMBL3090801

CCOC(=O)CCNC(=O)c1ccc(NC(c2cc(-c3ccc(C(F)(F)F)cc3)oc2C[S+](C)[O-])C2CCCCC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GCG P01275 14/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GCGR P47871 2/20 0.40
GLP1R P43220 1/20 0.40
GIPR P48546 1/20 0.40
TRPV1 Q8NER1 1/20 0.34
CETP P11597 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
SCHEMBL3094865 0.92 MEN1 (0.42) GCGMEN1KMT2AGCGR
SCHEMBL3107081 0.91 GCGR (0.48) GCGGCGRGLP1RGIPR
SCHEMBL3101180 0.89 GCG (0.42) GCGMEN1KMT2AGCGRGLP1R
SCHEMBL3093860 0.89 MCHR1 (0.34) GCGGCGRGLP1RGIPRCETP
SCHEMBL3102549 0.88 GCG (0.42) GCGMEN1KMT2AGCGRGLP1R
SCHEMBL16716424 0.83 GCG (0.41) GCGGCGRGLP1RGIPR
SCHEMBL3104664 0.83 GCGR (0.51) GCGGCGRGLP1RGIPR
SCHEMBL3104414 0.83 GCG (0.41) GCGGCGRGLP1RGIPR
SCHEMBL3112957 0.83 GCGR (0.48) GCGGCGRGLP1RGIPR
SCHEMBL16712410 0.82 GCGR (0.39) GCGGCGRGLP1RGIPRTRPV1

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
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-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 GCG 11/4885MEN1 233/4885KMT2A 2159/4885

“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.