SCHEMBL3216166

SCHEMBL3216166

N#CCCNC(=O)c1cccc(-c2cccc3nn(Cc4cccc(C(F)(F)F)c4)cc23)n1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 6/20 0.61
PTGER4 P35408 2/20 0.41
CTSA P10619 2/20 0.39
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TP53 P04637 1/20 0.37
SCN9A Q15858 1/20 0.37
HPGD P15428 1/20 0.36
SCD5 Q86SK9 1/20 0.35

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
SCHEMBL3196264 0.91 GPR52 (0.73) GPR52PTGER4CTSALMNAKDM4E
SCHEMBL3219790 0.86 GPR52 (0.67) GPR52PTGER4LMNASCD5
SCHEMBL3219255 0.86 GPR52 (0.66) GPR52PTGER4
SCHEMBL3206470 0.85 GPR52 (0.81) GPR52PTGER4
SCHEMBL1850158 0.84 GPR52 (0.56) GPR52PTGER4CTSALMNATP53
SCHEMBL7956119 0.83 GPR52 (0.62) GPR52PTGER4CTSALMNATP53
SCHEMBL3204342 0.83 GPR52 (0.68) GPR52PTGER4KDM4E
SCHEMBL1856279 0.82 GPR52 (0.77) GPR52PTGER4
SCHEMBL7961131 0.77 GPR52 (0.80) GPR52PTGER4
SCHEMBL3210140 0.77 GPR52 (0.80) 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 888/4885CTSA 1484/4885

“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.