SCHEMBL1855681

SCHEMBL1855681

COCCNC(=O)c1cccc(-c2cccc3cc(Cc4cccc(N(C)C)c4)sc23)c1

nearest known ligand 0.74

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GPR52 Q9Y2T5 12/20 0.74
▸ FYN P06241 1/20 0.43
▸ TMEM97 Q5BJF2 1/20 0.41
▸ SIGMAR1 Q99720 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ ROCK2 O75116 1/20 0.39
▸ ROCK1 Q13464 1/20 0.39
▸ S1PR4 O95977 1/20 0.39
▸ S1PR5 Q9H228 1/20 0.39

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
SCHEMBL1846908 0.88 GPR52 (0.78) GPR52FYNS1PR4S1PR5
SCHEMBL1850205 0.88 GPR52 (0.78) GPR52S1PR4S1PR5
SCHEMBL13489581 0.88 GPR52 (0.81) GPR52KMT2A
SCHEMBL13489580 0.88 GPR52 (0.81) GPR52
SCHEMBL3217989 0.87 GPR52 (0.72) GPR52FYNTMEM97SIGMAR1POLB
SCHEMBL3204194 0.85 GPR52 (0.73) GPR52ROCK2ROCK1
SCHEMBL1850623 0.85 GPR52 (0.73) GPR52S1PR4S1PR5
SCHEMBL1849557 0.85 GPR52 (1.00) GPR52S1PR4S1PR5
SCHEMBL1854490 0.85 GPR52 (0.77) GPR52S1PR4S1PR5
SCHEMBL3218938 0.85 GPR52 (0.88) GPR52S1PR4S1PR5

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 5 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
US-20100041891-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 — — US 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 1/4885FYN 1500/4885TMEM97 295/4885

“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.

Send feedback