SCHEMBL3219790

SCHEMBL3219790

N#CCCNC(=O)c1cc(-c2cccc3nn(Cc4cccc(C(F)(F)F)c4)cc23)ccn1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 8/20 0.67
MMP13 P45452 2/20 0.44
PTGER4 P35408 1/20 0.40
ANO1 Q5XXA6 1/20 0.36
SCD5 Q86SK9 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL3210140 0.91 GPR52 (0.80) GPR52MMP13PTGER4
SCHEMBL3206470 0.89 GPR52 (0.81) GPR52PTGER4
SCHEMBL3219255 0.87 GPR52 (0.66) GPR52PTGER4KDM4C
SCHEMBL3216166 0.86 GPR52 (0.61) GPR52PTGER4SCD5LMNA
SCHEMBL1856279 0.86 GPR52 (0.77) GPR52PTGER4KDM4C
SCHEMBL3204342 0.85 GPR52 (0.68) GPR52PTGER4
SCHEMBL1854239 0.84 GPR52 (0.63) GPR52MMP13PTGER4KDM4C
SCHEMBL1851641 0.83 GPR52 (0.62) GPR52MMP13PTGER4SCD5KDM4C
SCHEMBL1850188 0.80 GPR52 (0.59) GPR52MMP13PTGER4KDM4C
SCHEMBL3207056 0.80 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010018874-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 WO 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
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 4627/4885PTGER4 888/4885

“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.