SCHEMBL3198362

SCHEMBL3198362

O=C(O)c1cccc(-c2cc(F)cc3cc(Cc4cccc(C(F)(F)F)c4)sc23)c1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 13/20 0.61
NR4A2 P43354 2/20 0.45
S1PR4 O95977 1/20 0.45
S1PR5 Q9H228 1/20 0.45
ADORA2A P29274 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
LIPG Q9Y5X9 1/20 0.41

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
SCHEMBL1853402 0.90 GPR52 (0.75) GPR52NR4A2S1PR4S1PR5ADORA2A
SCHEMBL1848416 0.88 GPR52 (0.59) GPR52MEN1ALDH1A1KMT2A
SCHEMBL3207209 0.85 GPR52 (0.84) GPR52MRGPRX4
SCHEMBL1852578 0.85 GPR52 (0.61) GPR52S1PR4S1PR5
SCHEMBL1849113 0.85 GPR52 (0.63) GPR52S1PR4S1PR5
SCHEMBL1848214 0.84 GPR52 (0.74) GPR52NR4A2S1PR4S1PR5ADORA2A
SCHEMBL1847806 0.83 GPR52 (0.56) GPR52NR4A2S1PR4S1PR5ADORA2A
SCHEMBL1852567 0.81 GPR52 (0.78) GPR52S1PR4S1PR5ADORA2A
SCHEMBL1847713 0.81 GPR52 (0.62) GPR52NR4A2S1PR4S1PR5MRGPRX4
SCHEMBL1852770 0.81 GPR52 (0.74) GPR52NR4A2S1PR5ADORA2AMRGPRX4

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 1/4885NR4A2 8/4885S1PR4 565/4885

“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.