SCHEMBL3217438

SCHEMBL3217438

O=C(NCCO)c1cccc(-c2cccc3cn(Cc4cccc(C(F)(F)F)c4)nc23)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 16/20 1.00
CNR2 P34972 1/20 0.45
CDK8 P49336 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.44
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL1851624 0.97 GPR52 (0.93) GPR52CNR2CDK8MRGPRX4
SCHEMBL1850688 0.90 GPR52 (0.81) GPR52CNR2CDK8ALDH1A1POLB
SCHEMBL3217985 0.90 GPR52 (0.81) GPR52MRGPRX4ALDH1A1
SCHEMBL1851622 0.90 GPR52 (0.81) GPR52CNR2CDK8
SCHEMBL1849382 0.87 GPR52 (0.77) GPR52MRGPRX4ALDH1A1
SCHEMBL1854751 0.86 GPR52 (0.75) GPR52CNR2MRGPRX4ALDH1A1POLB
SCHEMBL3207056 0.86 GPR52 (1.00) GPR52CDK8MRGPRX4ALDH1A1POLB
SCHEMBL1849610 0.83 GPR52 (0.93) GPR52MRGPRX4
SCHEMBL1851623 0.83 GPR52 (0.71) GPR52CNR2POLB
SCHEMBL3217628 0.82 GPR52 (0.70) GPR52CNR2ALDH1A1

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
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 1/4885CNR2 6/4885CDK8 3401/4885

“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.