SCHEMBL3219255

SCHEMBL3219255

N#CCCNC(=O)c1ccnc(-c2cccc3nn(Cc4cccc(C(F)(F)F)c4)cc23)c1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 11/20 0.66
KDM4C Q9H3R0 1/20 0.45
PTGER4 P35408 1/20 0.41
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
PPARG P37231 1/20 0.38
CTSL P07711 1/20 0.37

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
SCHEMBL7961131 0.90 GPR52 (0.80) GPR52KDM4CPTGER4
SCHEMBL3206470 0.90 GPR52 (0.81) GPR52PTGER4ALDH1A1POLBCTSL
SCHEMBL1856279 0.87 GPR52 (0.77) GPR52KDM4CPTGER4CTSL
SCHEMBL3219790 0.87 GPR52 (0.67) GPR52KDM4CPTGER4
SCHEMBL3216166 0.86 GPR52 (0.61) GPR52PTGER4
SCHEMBL3204342 0.84 GPR52 (0.68) GPR52PTGER4ALDH1A1
SCHEMBL1850459 0.84 KDM4C (0.62) GPR52KDM4CPTGER4POLB
SCHEMBL3207056 0.80 GPR52 (1.00) GPR52PTGER4ALDH1A1POLB
SCHEMBL1850771 0.79 GPR52 (0.64) GPR52PTGER4
SCHEMBL1848382 0.79 GPR52 (0.62) GPR52PTGER4CTSL

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 1/4885KDM4C 2640/4885PTGER4 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.