SCHEMBL3217985

SCHEMBL3217985

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

nearest known ligand 0.81

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 12/20 0.81
RAD52 P43351 3/20 0.51
PAX8 Q06710 2/20 0.51
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MRGPRX4 Q96LA9 1/20 0.47
FYN P06241 1/20 0.43
BRAF P15056 1/20 0.43
IGF1R P08069 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
SCHEMBL1849382 0.97 GPR52 (0.77) GPR52RAD52PAX8KDM4EALDH1A1
SCHEMBL3217438 0.90 GPR52 (1.00) GPR52ALDH1A1MRGPRX4
SCHEMBL1850688 0.87 GPR52 (0.81) GPR52ALDH1A1
SCHEMBL1851624 0.87 GPR52 (0.93) GPR52MRGPRX4
SCHEMBL1851622 0.87 GPR52 (0.81) GPR52
SCHEMBL1849386 0.85 GPR52 (0.64) GPR52RAD52PAX8KDM4EALDH1A1
SCHEMBL1854751 0.83 GPR52 (0.75) GPR52KDM4EALDH1A1SMN1; SMN2MRGPRX4
SCHEMBL3217628 0.81 GPR52 (0.70) GPR52KDM4EALDH1A1SMN1; SMN2
SCHEMBL1851623 0.80 GPR52 (0.71) GPR52
SCHEMBL1851234 0.78 GPR52 (0.66) GPR52KDM4EALDH1A1SMN1; SMN2

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 1/4885RAD52 2079/4885PAX8 3298/4885

“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.