SCHEMBL1008205

SCHEMBL1008205

CC(C)(C)OC(=O)N1CCc2c(c(C(F)(F)F)nn2CC(=O)O)C1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.56
TSHR P16473 3/20 0.55
NPSR1 Q6W5P4 1/20 0.55
GAA P10253 1/20 0.44
ALOX15 P16050 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 2/20 0.41
HTT P42858 1/20 0.41
POLQ O75417 1/20 0.41
POLB P06746 1/20 0.39
CTSS P25774 2/20 0.39
ADORA1 P30542 1/20 0.39
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL1005207 0.91 LMNA (0.56) LMNATSHRNPSR1GAAALOX15
SCHEMBL4762470 0.88 DPP4 (0.49) LMNATSHRNPSR1GAAALOX15
SCHEMBL1007338 0.87 TRPM2 (0.45) LMNATSHRNPSR1GAAALOX15
SCHEMBL4760408 0.85 DPP4 (0.47) CTSSADORA1DDB1CRBN
SCHEMBL18852439 0.81 ESR2 (0.39) HTTCTSSADORA1DDB1CRBN
SCHEMBL15724327 0.81 LMNA (0.41) LMNATSHRNPSR1GAAALOX15
SCHEMBL17066905 0.80 ADORA1 (0.42) LMNATSHRNPSR1GAAALOX15
SCHEMBL1007530 0.79 MAPT (0.47) LMNAPOLB
SCHEMBL1007022 0.79 ADORA1 (0.45) LMNATSHRNPSR1GAAALOX15
SCHEMBL1008207 0.79 ESR2 (0.38) CTSSADORA1DDB1CRBN

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110118236-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-19 US disclosed
EP-2269990-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-01-05 EP 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-20110118236-A1 HETEROCYCLIC COMPOUND GRIN1, GRM1, GRIK1 LMNA 4015/4885TSHR 134/4885NPSR1 95/4885

“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.