SCHEMBL3106498

SCHEMBL3106498

CCOC(=O)CCN(C)C(=O)c1ccc(NC(c2cc(-c3ccc(OCCCSC)cc3)oc2C)C2CCCCC2)cc1

nearest known ligand 0.34

Predicted protein targets (top 19)

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
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
SLC6A9 P48067 1/20 0.32
LTA4H P09960 2/20 0.32
IDH1 O75874 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
DRD2 P14416 1/20 0.31
F2 P00734 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 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
SCHEMBL3099797 0.93 KMT2A (0.34) ESR1PDE2APDE3BPDE3AP2RY12
SCHEMBL3096006 0.91 ESR1 (0.34) ESR1PDE2APDE3BPDE3AP2RY12
SCHEMBL3110132 0.90 ESR1 (0.34) ESR1PDE2APDE3BPDE3AP2RY12
SCHEMBL13094285 0.90 SLC6A9 (0.34) MEN1LMNAGAAMAPTKMT2A
SCHEMBL3095319 0.88 MAPT (0.41) MEN1LMNAGAAMAPTKMT2A
SCHEMBL3090795 0.85 RCE1 (0.41) MEN1LMNAGAAMAPTKMT2A
SCHEMBL3110126 0.84 SLC6A9 (0.33) MEN1LMNAMAPTKMT2ASLC6A9
SCHEMBL3095083 0.83 FFAR1 (0.34) MEN1MAPTKMT2ASLC6A9HRH3
SCHEMBL3095180 0.83 HDAC6 (0.35) MEN1KMT2AIDH1NPC1RAB9A
SCHEMBL717377 0.83 KDM4E (0.36) PDE3BPDE3AMEN1MAPTKMT2A

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.