SCHEMBL3207391

SCHEMBL3207391

O=C(NCCO)c1cccc(-c2cccc3nn(Cc4ccc(F)c(F)c4)cc23)c1

nearest known ligand 0.75

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 9/20 0.75
PTGER4 P35408 1/20 0.43
FYN P06241 7/20 0.42
ABL1 P00519 1/20 0.39
BCR P11274 1/20 0.39
MAP4K4 O95819 1/20 0.38
CACNA1G O43497 1/20 0.38
CACNA1H O95180 1/20 0.38
CACNA1I Q9P0X4 1/20 0.38

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
SCHEMBL1850562 0.92 GPR52 (0.72) GPR52PTGER4FYN
SCHEMBL3217594 0.91 GPR52 (0.75) GPR52PTGER4FYNMAP4K4
SCHEMBL1849152 0.90 GPR52 (0.79) GPR52PTGER4FYN
SCHEMBL3217408 0.90 GPR52 (0.61) GPR52PTGER4ABL1BCRCACNA1G
SCHEMBL3207084 0.88 GPR52 (0.76) GPR52PTGER4FYN
SCHEMBL3206799 0.88 GPR52 (0.78) GPR52FYN
SCHEMBL1852548 0.88 GPR52 (0.70) GPR52PTGER4FYN
SCHEMBL3209129 0.87 GPR52 (0.69) GPR52FYN
SCHEMBL1851132 0.86 GPR52 (0.68) GPR52FYNMAP4K4
SCHEMBL3207056 0.86 GPR52 (1.00) 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 1/4885PTGER4 888/4885FYN 1500/4885

“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.