SCHEMBL3098563

SCHEMBL3098563

Cc1oc(-c2ccc(Cl)cc2Cl)cc1C(Oc1ccc(C(=O)NCCC(=O)O)cc1)C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 8/20 0.46
ADCY6 O43306 2/20 0.46
ADCY3 O60266 2/20 0.46
ADCY9 O60503 2/20 0.46
ADCY5 O95622 2/20 0.46
ADCY8 P40145 2/20 0.46
ADCY7 P51828 2/20 0.46
ADCY2 Q08462 2/20 0.46
ADCY1 Q08828 2/20 0.46
ADCY4 Q8NFM4 2/20 0.46
GCG P01275 9/20 0.45
CNR1 P21554 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 1/20 0.38
VIPR2 P41587 1/20 0.38
GLP1R P43220 1/20 0.38
GIPR P48546 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL3109900 0.94 GCG (0.47) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL3100235 0.90 GCGR (0.46) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL3102630 0.87 CNR1 (0.35) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL3110232 0.87 CNR1 (0.38) CNR1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL3090936 0.86 GCG (0.49) GCGRGCGNPC1RAB9ASMN1; SMN2
SCHEMBL3102468 0.86 GCGR (0.46) GCGRGCGNPC1RAB9ASMN1; SMN2
SCHEMBL3101844 0.85 GCG (0.52) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL3102588 0.85 GCG (0.48) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL3101722 0.84 GCG (0.51) GCGRGCGNPC1RAB9ASMN1; SMN2
SCHEMBL3100061 0.84 GCGR (0.47) GCGRADCY6ADCY3ADCY9ADCY5

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 8 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-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
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 3/4885ADCY6 1147/4885ADCY3 289/4885

“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.