SCHEMBL3208286

SCHEMBL3208286

Cc1c(Cc2cccc(C(F)(F)F)c2)oc2c(-c3cc(C(=O)NCCC#N)ccn3)cccc12

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 15/20 0.65
HTR2B P41595 1/20 0.42
PPARG P37231 2/20 0.40
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
HDAC1 Q13547 1/20 0.39
SCD O00767 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
SCHEMBL3209998 0.91 GPR52 (0.79) GPR52HTR2B
SCHEMBL1852041 0.89 GPR52 (0.82) GPR52PPARGALDH1A1POLB
SCHEMBL1852125 0.85 GPR52 (0.59) GPR52HTR2B
SCHEMBL1852096 0.84 GPR52 (0.59) GPR52HTR2BSCD
SCHEMBL1850728 0.82 GPR52 (0.64) GPR52POLB
SCHEMBL1852420 0.80 GPR52 (0.55) GPR52HTR2BPPARG
SCHEMBL3212814 0.79 GPR52 (1.00) GPR52HTR2BPPARGALDH1A1POLB
SCHEMBL3219273 0.79 GPR52 (0.63) GPR52ALDH1A1POLB
SCHEMBL1851003 0.77 GPR52 (0.83) GPR52PPARGALDH1A1POLB
SCHEMBL1849011 0.77 GPR52 (0.82) GPR52PPARGALDH1A1POLB

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 1/4885HTR2B 128/4885PPARG 84/4885

“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.