SCHEMBL3096006

SCHEMBL3096006

CCOC(=O)CCN(C)C(=O)c1ccc(NC(c2cc(-c3ccc(OCCC[S+](C)[O-])cc3)oc2C)C2CCCCC2)cc1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.34
PDE2A O00408 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
P2RY12 Q9H244 1/20 0.33
TP53 P04637 3/20 0.32
LMNA P02545 2/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
SLC6A9 P48067 1/20 0.32
LTA4H P09960 2/20 0.32
IDH1 O75874 1/20 0.31
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
DRD2 P14416 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
SCHEMBL3110126 0.93 SLC6A9 (0.33) TP53LMNAKMT2AMEN1MAPT
SCHEMBL3106498 0.91 ESR1 (0.34) ESR1PDE2APDE3BPDE3AP2RY12
SCHEMBL3110132 0.90 ESR1 (0.34) ESR1PDE2APDE3BPDE3AP2RY12
SCHEMBL3099797 0.89 KMT2A (0.34) ESR1PDE2APDE3BPDE3AP2RY12
SCHEMBL3095400 0.88 MAPT (0.41) TP53LMNAKMT2AMEN1GAA
SCHEMBL3104278 0.83 L3MBTL1 (0.34) TP53KMT2AMEN1MAPTSLC6A9
SCHEMBL3095180 0.83 HDAC6 (0.35) KMT2AMEN1IDH1
SCHEMBL3095083 0.83 FFAR1 (0.34) KMT2AMEN1MAPTSLC6A9
SCHEMBL13094285 0.83 SLC6A9 (0.34) LMNAKMT2AMEN1GAAMAPT
SCHEMBL3093860 0.82 MCHR1 (0.34) MAPTIDH1

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 ESR1 606/4885PDE2A 1858/4885PDE3B 838/4885

“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.