SCHEMBL3095333

SCHEMBL3095333

COc1cncc(-c2cc(C(CC(C)C)Nc3ccc(C(=O)N(C)CCC(=O)O)cc3)c(C)o2)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.40
GCG P01275 4/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
NAMPT P43490 2/20 0.34
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
DGAT1 O75907 1/20 0.33
CTSA P10619 3/20 0.32
GCGR P47871 2/20 0.32
MCHR1 Q99705 1/20 0.32
ROCK2 O75116 1/20 0.31
ROCK1 Q13464 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
PTGS2 P35354 1/20 0.31
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31

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
SCHEMBL3104644 0.90 ALDH1A1 (0.43) GCGALDH1A1MAPTHPGDGCGR
SCHEMBL3091165 0.89 GCG (0.36) GCGNAMPTDGAT1CTSAGCGR
SCHEMBL3111733 0.89 HSD17B2 (0.40) GCGALDH1A1MAPTHPGDHDAC6
SCHEMBL3109992 0.88 MKNK1 (0.38) ALDH1A1MAPTHPGDMKNK1MKNK2
SCHEMBL3107515 0.87 GCG (0.46) AKR1C3GCGGCGR
SCHEMBL3102341 0.86 HDAC6 (0.39) GCGNAMPTMKNK1MKNK2DGAT1
SCHEMBL3109262 0.85 GCG (0.41) GCGALDH1A1MAPTHPGDNAMPT
SCHEMBL3100035 0.85 HTT (0.35) GCGALDH1A1MAPTHPGDGCGR
SCHEMBL3101066 0.83 AKR1C3 (0.43) AKR1C3ALDH1A1MAPTHPGDDGAT1
SCHEMBL3101422 0.83 CTSA (0.36) ALDH1A1MAPTHPGDCTSAGCGR

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 AKR1C3 515/4885GCG 11/4885ALDH1A1 3963/4885

“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.