SCHEMBL1850688

SCHEMBL1850688

N#CCCNC(=O)c1cccc(-c2cccc3cn(Cc4cccc(C(F)(F)F)c4)nc23)c1

nearest known ligand 0.81

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 13/20 0.81
CDK8 P49336 1/20 0.42
CHRM3 P20309 1/20 0.41
CNR2 P34972 1/20 0.41
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
EPHB4 P54760 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
SCHEMBL3217438 0.90 GPR52 (1.00) GPR52CDK8CNR2ALDH1A1POLB
SCHEMBL3217985 0.87 GPR52 (0.81) GPR52ALDH1A1
SCHEMBL1851624 0.87 GPR52 (0.93) GPR52CDK8CNR2
SCHEMBL1851622 0.87 GPR52 (0.81) GPR52CDK8CHRM3CNR2
SCHEMBL3206470 0.87 GPR52 (0.81) GPR52CDK8CHRM3ALDH1A1POLB
SCHEMBL1849382 0.84 GPR52 (0.77) GPR52ALDH1A1
SCHEMBL1856279 0.84 GPR52 (0.77) GPR52
SCHEMBL1854751 0.83 GPR52 (0.75) GPR52CNR2ALDH1A1POLB
SCHEMBL3206733 0.82 GPR52 (0.56) GPR52CHRM3ALDH1A1POLB
SCHEMBL1849429 0.80 GPR52 (0.53) 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 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 1/4885CDK8 3401/4885CHRM3 107/4885

“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.