SCHEMBL961648

SCHEMBL961648

COc1ccc(CCOc2cccc(-c3cccc(C(=O)NC4CCOCC4)c3)n2)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 2/20 0.48
CNR2 P34972 1/20 0.47
F10 P00742 1/20 0.45
PDE4B Q07343 3/20 0.45
PTGDR Q13258 1/20 0.44
ATR Q13535 1/20 0.44
MCHR1 Q99705 1/20 0.43
MTOR P42345 1/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
EPHX1 P07099 1/20 0.42
HPGDS O60760 1/20 0.42
PRKD1 Q15139 1/20 0.41
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
BRD4 O60885 1/20 0.41

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
SCHEMBL958341 0.94 GPR52 (0.51) GPR52PTGDRMCHR1KMT2AMEN1
SCHEMBL960682 0.89 GPR52 (0.51) GPR52CNR2PDE4BATRMCHR1
SCHEMBL12919120 0.89 GPR52 (0.49) GPR52F10KMT2AMEN1ROCK2
SCHEMBL12919048 0.84 GPR52 (0.53) GPR52PTGDR
SCHEMBL12919090 0.84 MAP4K4 (0.54) GPR52PDE4BKMT2AHPGDS
SCHEMBL12919063 0.83 GPR52 (0.60) GPR52PTGDRKMT2AMEN1
SCHEMBL957828 0.83 PTGDR (0.55) GPR52PDE4BPTGDRKMT2A
SCHEMBL12919094 0.83 CYP2C9 (0.60) GPR52KMT2AMEN1
SCHEMBL12919059 0.83 GPR52 (0.69) GPR52KMT2AMEN1
SCHEMBL964253 0.82 GPR52 (0.56) GPR52PTGDRKMT2AMEN1

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
US-20110009421-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 US disclosed
US-20110009421-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 US disclosed
US-20110009421-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 US disclosed
EP-2253618-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING Takeda Pharmaceutical Company Limited (JP) 2010-11-24 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-20110009421-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING GPR4, NR3C2, NR5A2 GPR52 23/4885CNR2 36/4885F10 2704/4885

“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.