SCHEMBL3090880

SCHEMBL3090880

CCc1oc(-c2ccc(OC)cc2)cc1C(CC(C)C)Nc1ccc(C(=O)NCCC(=O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
PKM P14618 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
HSD17B10 Q99714 1/20 0.45
GCG P01275 11/20 0.44
GCGR P47871 6/20 0.43
ADCY6 O43306 2/20 0.43
ADCY3 O60266 2/20 0.43
ADCY9 O60503 2/20 0.43
ADCY5 O95622 2/20 0.43
ADCY8 P40145 2/20 0.43
ADCY7 P51828 2/20 0.43
ADCY2 Q08462 2/20 0.43
ADCY1 Q08828 2/20 0.43
ADCY4 Q8NFM4 2/20 0.43
CTSL P07711 2/20 0.40
CTSS P25774 2/20 0.40
CTSK P43235 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
SCHEMBL3102223 0.91 GCG (0.50) GCGGCGRADCY6ADCY3ADCY9
SCHEMBL3106816 0.90 GCG (0.45) MEN1ALDH1A1PKMHTTKMT2A
SCHEMBL3113203 0.86 ALDH1A1 (0.37) MEN1ALDH1A1PKMHTTKMT2A
SCHEMBL3094037 0.85 GCG (0.48) MEN1ALDH1A1PKMHTTKMT2A
SCHEMBL3106645 0.81 GCG (0.44) ALDH1A1GCGGCGR
SCHEMBL3107471 0.80 GCG (0.44) GCGGCGR
SCHEMBL3109777 0.80 GCG (0.52) GCGGCGRADCY6ADCY3ADCY9
SCHEMBL3107515 0.80 GCG (0.46) GCGGCGR
SCHEMBL3102657 0.78 GCG (0.49) GCGGCGR
SCHEMBL3101773 0.78 GCG (0.44) GCGGCGR

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 MEN1 233/4885ALDH1A1 3963/4885PKM 4525/4885

“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.