SCHEMBL3196244

SCHEMBL3196244

CC1(C)OB(c2cccc3cc(Cc4cccc(C(F)(F)F)c4)sc23)OC1(C)C

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 14/20 0.45
ABL1 P00519 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
ADORA2A P29274 1/20 0.36
LTA4H P09960 1/20 0.35

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
SCHEMBL3209995 0.82 LMNA (0.42)
SCHEMBL1858647 0.77 GPR52 (0.46) GPR52
SCHEMBL13506352 0.76 GPR52 (0.53) GPR52ADORA2ALTA4H
SCHEMBL1849577 0.76 GPR52 (0.51) GPR52ADORA2ALTA4H
SCHEMBL1849991 0.76 CYP2A6 (0.41)
SCHEMBL3215860 0.73 GPR52 (0.45) GPR52HTR2AHTR2CHTR2B
SCHEMBL13505746 0.73 GPR52 (0.48) GPR52ADORA2ALTA4H
SCHEMBL13506123 0.72 GPR52 (0.55) GPR52ABL1
SCHEMBL1855573 0.72 GPR52 (0.48) GPR52HTR2AHTR2CHTR2B
SCHEMBL13505792 0.71 GPR52 (0.58) GPR52

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2518054-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2012-10-31 EP 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 1/4885ABL1 2539/4885HTR2A 125/4885

“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.