SCHEMBL3101722

SCHEMBL3101722

Cc1cc(C(Oc2ccc(C(=O)NCCC(=O)O)cc2)C2CCCCC2)c(C)o1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GCG P01275 8/20 0.51
GCGR P47871 5/20 0.51
SMN1; SMN2 Q16637 4/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
HPGD P15428 1/20 0.45
NPSR1 Q6W5P4 1/20 0.43
MMP13 P45452 1/20 0.41
GIPR P48546 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.39
MDM2 Q00987 1/20 0.39

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
SCHEMBL3091390 0.89 GCGR (0.51) GCGGCGRSMN1; SMN2NPC1RAB9A
SCHEMBL3101844 0.88 GCG (0.52) GCGGCGRSMN1; SMN2NPC1RAB9A
SCHEMBL3100061 0.87 GCGR (0.47) GCGGCGRSMN1; SMN2NPC1RAB9A
SCHEMBL3100235 0.86 GCGR (0.46) GCGGCGRSMN1; SMN2NPC1RAB9A
SCHEMBL3102215 0.86 GCGR (0.48) GCGGCGRSMN1; SMN2NPC1RAB9A
SCHEMBL3101624 0.86 GCGR (0.48) GCGGCGRSMN1; SMN2NPC1RAB9A
SCHEMBL3104749 0.85 GCG (0.51) GCGGCGRHPGDMEN1KMT2A
SCHEMBL3098734 0.85 KDM4E (0.39) GCGGCGRSMN1; SMN2NPC1RAB9A
SCHEMBL3110130 0.85 GCGR (0.56) GCGGCGRGIPR
SCHEMBL3090936 0.84 GCG (0.49) GCGGCGRSMN1; SMN2NPC1RAB9A

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 9 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
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 GCG 11/4885GCGR 3/4885SMN1; SMN2 4692/4885

“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.