SCHEMBL3207171

SCHEMBL3207171

O=C(NCCO)c1cccc(-c2cccc3cc(Cc4ccc(=O)[nH]c4)sc23)c1

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 15/20 0.68
FYN P06241 2/20 0.41
S1PR5 Q9H228 3/20 0.40
S1PR4 O95977 2/20 0.40

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
SCHEMBL1848475 0.85 S1PR5 (0.49) GPR52S1PR5S1PR4
SCHEMBL13489559 0.83 GPR52 (0.65) GPR52FYNS1PR5
SCHEMBL3198436 0.81 GPR52 (0.63) GPR52S1PR5S1PR4
SCHEMBL3198471 0.81 GPR52 (0.62) GPR52FYN
SCHEMBL1851112 0.81 GPR52 (1.00) GPR52
SCHEMBL1849612 0.80 GPR52 (0.48) GPR52S1PR5S1PR4
SCHEMBL3206759 0.80 GPR52 (0.63) GPR52FYN
SCHEMBL3218822 0.80 GPR52 (0.67) GPR52
SCHEMBL3207357 0.79 GPR52 (0.62) GPR52FYN
SCHEMBL3207002 0.78 GPR52 (0.60) GPR52FYN

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 3 patents. 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
US-20100041891-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 US disclosed
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 1/4885FYN 1500/4885S1PR5 696/4885

“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.