SCHEMBL3196491

SCHEMBL3196491

CCOC(=O)c1cccc(-c2cccc3cc(Cc4ccc(F)c(OC)c4)sc23)c1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 5/20 0.52
NPC1 O15118 2/20 0.40
BRAF P15056 1/20 0.39
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
S1PR5 Q9H228 2/20 0.37
S1PR4 O95977 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL1858447 0.96 GPR52 (0.49) GPR52NPC1BRAFTP53POLB
SCHEMBL1850789 0.91 GPR52 (0.53) GPR52NPC1TP53POLBHPGD
SCHEMBL1853149 0.89 GPR52 (0.55) GPR52
SCHEMBL1853198 0.88 GPR52 (0.54) GPR52TP53POLBHPGDS1PR5
SCHEMBL1850740 0.87 GPR52 (0.49) GPR52NPC1TP53POLBHPGD
SCHEMBL1854655 0.84 GPR52 (0.51) GPR52TP53POLBHPGDS1PR5
SCHEMBL3208882 0.83 GPR52 (0.73) GPR52NPC1HPGDS1PR4ALDH1A1
SCHEMBL1850159 0.83 GPR52 (0.54) GPR52NPC1TP53POLBHPGD
SCHEMBL3219547 0.83 GPR52 (0.54) GPR52NPC1TP53POLBHPGD
SCHEMBL1850522 0.83 GPR52 (0.70) GPR52NPC1TP53POLBHPGD

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 1/4885NPC1 2479/4885BRAF 4083/4885

“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.