SCHEMBL3213237

SCHEMBL3213237

O=C(O)c1cccc(-c2nccc3oc(Cc4cccc(C(F)(F)F)c4)cc23)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 7/20 0.55
KDM4C Q9H3R0 1/20 0.46
NR4A2 P43354 2/20 0.46
MRGPRX4 Q96LA9 2/20 0.43
KMO O15229 1/20 0.42
NR3C2 P08235 1/20 0.41
IP6K1 Q92551 1/20 0.41
IP6K3 Q96PC2 1/20 0.41
IP6K2 Q9UHH9 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
PTPRC P08575 1/20 0.40
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
PTPN6 P29350 1/20 0.40
PTPN9 P43378 1/20 0.40
DUSP3 P51452 1/20 0.40
PTPN11 Q06124 1/20 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
SCHEMBL1848852 0.88 GPR52 (0.51) GPR52NR3C2MEN1ALDH1A1KMT2A
SCHEMBL3220894 0.87 GPR52 (0.75) GPR52
SCHEMBL1847900 0.84 GPR52 (0.75) GPR52KDM4CNR4A2MRGPRX4IP6K1
SCHEMBL3201706 0.84 GPR52 (0.62) GPR52
SCHEMBL1850960 0.83 GPR52 (0.57) GPR52KDM4CNR4A2MRGPRX4NR3C2
SCHEMBL1850535 0.79 GPR52 (0.55) GPR52KDM4CNR4A2MRGPRX4KMO
SCHEMBL1875935 0.77 GPR52 (0.53) GPR52KDM4CNR4A2MRGPRX4NR3C2
SCHEMBL1849703 0.77 GPR52 (0.57) GPR52KDM4CNR4A2MRGPRX4IP6K1
SCHEMBL1854051 0.76 GPR52 (0.46) GPR52NR3C2KDM4EMEN1ALDH1A1
SCHEMBL1851357 0.76 GPR52 (0.64) GPR52MEN1KMT2A

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 1/4885KDM4C 2640/4885NR4A2 8/4885

“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.