SCHEMBL3217518

SCHEMBL3217518

N#CCCNC(=O)c1cc(F)cc(-c2cccc3cc(Cc4ccc(F)c(Cl)c4)sc23)c1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 10/20 0.55
S1PR5 Q9H228 4/20 0.35
SCD O00767 1/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
TP53 P04637 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
SNCA P37840 1/20 0.33
S1PR4 O95977 3/20 0.33

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
SCHEMBL1850527 0.92 GPR52 (0.61) GPR52S1PR5SCDCNR1CNR2
SCHEMBL3217763 0.90 GPR52 (0.68) GPR52S1PR5TP53SNCAS1PR4
SCHEMBL13489525 0.90 GPR52 (0.59) GPR52S1PR5SCD
SCHEMBL3223345 0.88 GPR52 (0.71) GPR52SCDTP53
SCHEMBL3211306 0.84 GPR52 (0.60) GPR52S1PR5TP53S1PR4
SCHEMBL1851568 0.84 GPR52 (0.78) GPR52S1PR5SNCAS1PR4
SCHEMBL1848008 0.84 GPR52 (0.51) GPR52S1PR5S1PR4
SCHEMBL3215617 0.80 GPR52 (0.60) GPR52SCDS1PR4
SCHEMBL3208649 0.79 GPR52 (0.57) GPR52S1PR5SCDCNR1CNR2
SCHEMBL1853387 0.79 GPR52 (0.79) GPR52SCDTP53LMNAHTT

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 1/4885S1PR5 696/4885SCD 3465/4885

“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.