SCHEMBL1854516

SCHEMBL1854516

CCOC(=O)c1cccc(-c2cccc3cc(CNc4cccc(C(F)(F)F)c4)sc23)c1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 8/20 0.56
S1PR5 Q9H228 8/20 0.56
GPR52 Q9Y2T5 4/20 0.54
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
SYK P43405 1/20 0.45
TP53 P04637 2/20 0.42
LMNA P02545 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL1856500 0.91 GPR52 (0.66) S1PR4S1PR5GPR52MEN1MAPT
SCHEMBL1854277 0.88 S1PR5 (0.63) S1PR4S1PR5GPR52
SCHEMBL3198611 0.84 GPR52 (0.76) S1PR4S1PR5GPR52
SCHEMBL1848119 0.84 GPR52 (0.71) S1PR4S1PR5GPR52MEN1MAPT
SCHEMBL1850704 0.84 GPR52 (0.60) S1PR4S1PR5GPR52MEN1MAPT
SCHEMBL1849808 0.83 GPR52 (0.53) S1PR4S1PR5GPR52MEN1MAPT
SCHEMBL3210261 0.82 GPR52 (0.75) S1PR4S1PR5GPR52MAPT
SCHEMBL3208693 0.81 GPR52 (0.51) S1PR4S1PR5GPR52MEN1MAPT
SCHEMBL1849090 0.80 GPR52 (0.60) S1PR4S1PR5GPR52MEN1MAPT
SCHEMBL1848922 0.80 GPR52 (0.46) S1PR4S1PR5GPR52TP53

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
EP-2323978-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-05-25 EP disclosed
WO-2010018874-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 WO 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 S1PR4 565/4885S1PR5 696/4885GPR52 1/4885

“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.