SCHEMBL3219552

SCHEMBL3219552

COc1cccc(Cn2cc3c(-c4cccc(C(=O)NCCO)c4)cccc3n2)c1

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 3/20 0.73
MMP13 P45452 2/20 0.47
AURKA O14965 1/20 0.47
PTGER4 P35408 1/20 0.45
DGAT2 Q96PD7 2/20 0.45
SMYD2 Q9NRG4 1/20 0.45
TP53 P04637 2/20 0.44
KMT2A Q03164 1/20 0.43
PTAFR P25105 1/20 0.43
CHRM3 P20309 1/20 0.43
SIGMAR1 Q99720 1/20 0.42
ROCK2 O75116 1/20 0.42

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
SCHEMBL1850675 0.97 GPR52 (0.69) GPR52MMP13AURKAPTGER4DGAT2
SCHEMBL3217756 0.90 GPR52 (0.59) GPR52MMP13AURKAPTGER4DGAT2
SCHEMBL1850671 0.90 GPR52 (0.62) GPR52MMP13AURKAPTGER4DGAT2
SCHEMBL3206799 0.88 GPR52 (0.78) GPR52
SCHEMBL1857499 0.87 GPR52 (0.56) GPR52MMP13AURKAPTGER4DGAT2
SCHEMBL1849152 0.86 GPR52 (0.79) GPR52PTGER4PTAFRCHRM3
SCHEMBL3207084 0.86 GPR52 (0.76) GPR52PTGER4KMT2A
SCHEMBL1853272 0.86 GPR52 (0.53) GPR52MMP13PTGER4DGAT2KMT2A
SCHEMBL3207056 0.84 GPR52 (1.00) GPR52PTGER4CHRM3
SCHEMBL3207391 0.84 GPR52 (0.75) GPR52PTGER4

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 1/4885MMP13 4627/4885AURKA 3128/4885

“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.