SCHEMBL962234

SCHEMBL962234

CCOC(=O)c1cccc(-c2cccc(OCCc3ccc(OC)c(OC)c3)n2)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.49
GPR52 Q9Y2T5 2/20 0.48
GAA P10253 2/20 0.47
MAPT P10636 4/20 0.46
TP53 P04637 1/20 0.46
BRAF P15056 1/20 0.46
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
ADRB3 P13945 1/20 0.44
HTT P42858 2/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 1/20 0.44
PTGDR Q13258 1/20 0.44
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 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
SCHEMBL959496 0.89 NPC1 (0.48) NPC1GAAMAPTTP53BRAF
SCHEMBL957828 0.88 PTGDR (0.55) GPR52MAPTHTTKDM4EALDH1A1
SCHEMBL960136 0.88 GPR52 (0.48) GPR52MAPTTP53ALDH1A1PTGDR
SCHEMBL960342 0.87 NPC1 (0.48) NPC1GAAMAPTTP53BRAF
SCHEMBL964253 0.85 GPR52 (0.56) GPR52MAPTTP53SMN1; SMN2HTT
SCHEMBL12919048 0.85 GPR52 (0.53) GPR52MAPTTP53SMN1; SMN2ALDH1A1
SCHEMBL12919064 0.83 GPR52 (0.56) GPR52GAAMAPTTP53HTT
SCHEMBL12919063 0.83 GPR52 (0.60) NPC1GPR52GAAMAPTTP53
SCHEMBL12919049 0.82 GPR52 (0.57) GPR52MAPTTP53SMN1; SMN2
SCHEMBL12919060 0.82 GPR52 (0.49) GPR52MAPTTP53ALDH1A1PTGDR

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-20110130384-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-06-02 US disclosed
EP-2298731-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-03-23 EP 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 (2 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-20110130384-A1 AMIDE COMPOUND GPR52, CNR2, ARRB1 NPC1 2004/4885GPR52 1/4885GAA 4276/4885
US-20110009421-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING GPR4, NR3C2, NR5A2 NPC1 2153/4885GPR52 23/4885GAA 4197/4885

“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.