SCHEMBL960682

SCHEMBL960682

COc1cccc(CCOc2cccc(-c3cccc(C(=O)NC4CCOCC4)c3)n2)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 2/20 0.51
HPGDS O60760 3/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
CNR2 P34972 1/20 0.48
DRD4 P21917 1/20 0.46
FGFR1 P11362 1/20 0.45
FGFR2 P21802 1/20 0.45
FGFR3 P22607 1/20 0.45
KDR P35968 1/20 0.45
MAPT P10636 2/20 0.45
THRB P10828 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
ATR Q13535 1/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPK14 Q16539 2/20 0.44
MCHR1 Q99705 1/20 0.44
PDE4B Q07343 1/20 0.43

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
SCHEMBL961648 0.89 GPR52 (0.48) GPR52HPGDSCNR2ATRMCHR1
SCHEMBL958255 0.84 GPR52 (0.56) GPR52CNR2MAPT
SCHEMBL961206 0.83 GPR52 (0.63) GPR52NPC1RAB9A
SCHEMBL961439 0.82 GPR52 (0.52) GPR52RAB9ARXFP1
SCHEMBL958341 0.82 GPR52 (0.51) GPR52MCHR1
SCHEMBL959859 0.82 GPR52 (0.73) GPR52NPC1RAB9A
SCHEMBL12918938 0.81 GPR52 (0.61) GPR52NPC1RAB9AMCHR1
SCHEMBL3402485 0.81 GPR52 (0.61) GPR52NPC1RAB9AMAPT
Hydrochloric Acid SCHEMBL958163 0.81 GPR52 (0.60) GPR52NPC1RAB9AMCHR1
SCHEMBL959095 0.79 GPR52 (0.59) GPR52NPC1RAB9AMAPTMCHR1

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 23/4885HPGDS 1885/4885NPC1 2153/4885

“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.