SCHEMBL3095180

SCHEMBL3095180

CCOC(=O)CCN(C)C(=O)c1ccc(NC(c2cc(-c3ccc(OC)nc3)oc2C)C2CCCCC2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.35
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
PTGS2 P35354 1/20 0.33
GABRA1 P14867 2/20 0.33
MCHR1 Q99705 2/20 0.33
OXTR P30559 1/20 0.33
PDE5A O76074 1/20 0.32
IDH1 O75874 1/20 0.32
DGAT1 O75907 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HPGD P15428 1/20 0.32
BTK Q06187 2/20 0.32
ACKR3 P25106 1/20 0.32
EPHX2 P34913 1/20 0.32
RCE1 Q9Y256 1/20 0.32
PIK3CA P42336 1/20 0.31
MTOR P42345 1/20 0.31
PIK3CG P48736 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
SCHEMBL3095176 0.93 PTGS2 (0.39) HDAC6NPC1RAB9APTGS2GABRA1
SCHEMBL3095647 0.86 DGAT1 (0.38) PTGS2MCHR1DGAT1HPGDRCE1
SCHEMBL3099797 0.85 KMT2A (0.34) NPC1RAB9AIDH1MEN1KMT2A
SCHEMBL3102355 0.84 HDAC6 (0.37) HDAC6NPC1RAB9AGABRA1OXTR
SCHEMBL13094229 0.84 HPGD (0.39) PTGS2MCHR1DGAT1HPGDACKR3
SCHEMBL3098604 0.84 PTGS2 (0.36) HDAC6NPC1RAB9APTGS2GABRA1
SCHEMBL717472 0.84 BTK (0.40) PTGS2BTKRCE1PIK3CAPIK3CG
SCHEMBL3098655 0.84 ATM (0.33) PTGS2DGAT1HPGDRCE1PIK3CA
SCHEMBL3107472 0.84 RCE1 (0.45) HDAC6NPC1RAB9APTGS2GABRA1
SCHEMBL3098613 0.83 ATM (0.33) PTGS2DGAT1HPGDEPHX2RCE1

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 HDAC6 2860/4885NPC1 3994/4885RAB9A 3790/4885

“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.