SCHEMBL3094865

SCHEMBL3094865

CCOC(=O)CCNC(=O)c1ccc(NC(c2cc(-c3ccccc3)oc2C[S+](C)[O-])C2CCCCC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GCG P01275 8/20 0.35
ALDH1A1 P00352 1/20 0.34
PKM P14618 1/20 0.34
HTT P42858 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PGR P06401 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CHRM2 P08172 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM3 P20309 1/20 0.33
TSHR P16473 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
ADCY6 O43306 1/20 0.33
ADCY3 O60266 1/20 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
SCHEMBL3090801 0.92 GCG (0.42) MEN1KMT2AGCGGCGR
SCHEMBL16716424 0.91 GCG (0.41) GCGSMN1; SMN2PGRADCY6ADCY3
SCHEMBL3104414 0.91 GCG (0.41) GCGSMN1; SMN2PGRADCY6ADCY3
SCHEMBL3110137 0.88 MEN1 (0.43) MEN1KMT2AGCGALDH1A1PKM
SCHEMBL3106798 0.88 MEN1 (0.42) MEN1KMT2AGCGALDH1A1PKM
SCHEMBL3104278 0.87 L3MBTL1 (0.34) MEN1KMT2AGCGALDH1A1L3MBTL1
SCHEMBL3107081 0.83 GCGR (0.48) GCGGCGR
SCHEMBL3095400 0.82 MAPT (0.41) MEN1KMT2AGCGSMN1; SMN2ADCY6
SCHEMBL3106718 0.82 GCG (0.44) MEN1KMT2AGCGALDH1A1PKM
SCHEMBL3089925 0.81 MEN1 (0.40) MEN1KMT2AGCGALDH1A1PKM

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 4 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-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 233/4885KMT2A 2159/4885GCG 11/4885

“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.