SCHEMBL3208645

SCHEMBL3208645

CCOC(=O)c1cccc(-c2cccc3cc(COc4cc(F)cc(Cl)c4)sc23)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 4/20 0.53
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
S1PR4 O95977 1/20 0.37
S1PR5 Q9H228 1/20 0.37
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GALR1 P47211 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36

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
SCHEMBL1875707 0.97 GPR52 (0.50) GPR52TP53POLBHPGDS1PR4
SCHEMBL1850409 0.88 GPR52 (0.54) GPR52S1PR4S1PR5CYP2C9
SCHEMBL1851537 0.87 GPR52 (0.53) GPR52S1PR4S1PR5NPC1RAB9A
SCHEMBL1850522 0.86 GPR52 (0.70) GPR52TP53POLBHPGDS1PR4
SCHEMBL1848618 0.83 GPR52 (0.77) GPR52TP53HPGDS1PR4S1PR5
SCHEMBL1849808 0.82 GPR52 (0.53) GPR52S1PR4S1PR5NPC1MAPT
SCHEMBL1854256 0.82 GPR52 (0.59) GPR52S1PR4S1PR5NPC1RAB9A
SCHEMBL1851998 0.82 GPR52 (0.65) GPR52TP53POLBHPGDS1PR4
SCHEMBL1848922 0.79 GPR52 (0.46) GPR52TP53POLBHPGDS1PR4
SCHEMBL1853198 0.79 GPR52 (0.54) GPR52TP53POLBHPGDS1PR4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100041891-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 US 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-20100041891-A1 AMIDE COMPOUND GPR52, GPR132, NR5A2 GPR52 1/4885TP53 3403/4885POLB 4067/4885

“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.