SCHEMBL3113203

SCHEMBL3113203

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.37
KMT2A Q03164 3/20 0.37
PKM P14618 2/20 0.37
MEN1 O00255 2/20 0.37
HSD17B10 Q99714 2/20 0.37
HTT P42858 1/20 0.37
MAPT P10636 5/20 0.37
HPGD P15428 5/20 0.37
KDM4E B2RXH2 3/20 0.37
NPC1 O15118 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
GAA P10253 2/20 0.37
DRD2 P14416 1/20 0.35
GCG P01275 1/20 0.35
GCGR P47871 1/20 0.35
LIMK2 P53671 1/20 0.34
MCHR1 Q99705 3/20 0.34
CDK4 P11802 1/20 0.34
CCND1 P24385 1/20 0.34
RAB9A P51151 2/20 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
SCHEMBL3093925 0.91 GCG (0.42) ALDH1A1KMT2AMEN1MAPTGCG
SCHEMBL3104644 0.90 ALDH1A1 (0.43) ALDH1A1KMT2APKMMEN1HSD17B10
SCHEMBL3090880 0.86 MEN1 (0.45) ALDH1A1KMT2APKMMEN1HSD17B10
SCHEMBL3102175 0.85 GCG (0.39) ALDH1A1KMT2APKMMEN1HSD17B10
SCHEMBL3102962 0.84 MAPT (0.39) ALDH1A1KMT2AMEN1HSD17B10HTT
SCHEMBL3111733 0.81 HSD17B2 (0.40) ALDH1A1KMT2AMAPTHPGDGCG
SCHEMBL3100035 0.80 HTT (0.35) ALDH1A1KMT2AMEN1HSD17B10HTT
SCHEMBL3109262 0.80 GCG (0.41) ALDH1A1KMT2AMEN1MAPTHPGD
SCHEMBL3095333 0.80 AKR1C3 (0.40) ALDH1A1MAPTHPGDGCGGCGR
SCHEMBL3102341 0.78 HDAC6 (0.39) NPC1GCGRAB9A

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 ALDH1A1 3963/4885KMT2A 2159/4885PKM 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.