SCHEMBL3315852

SCHEMBL3315852

CC(NC(=O)N1CC(NC(=O)OC(C)(C)C)C1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TEAD1 P28347 3/20 0.44
ACACB O00763 8/20 0.43
ADORA2A P29274 2/20 0.41
ADORA3 P0DMS8 1/20 0.41
ADORA1 P30542 1/20 0.41
ADORA2B P29275 1/20 0.41
MAPT P10636 1/20 0.40
PDE2A O00408 2/20 0.40
CCRL2 O00421 1/20 0.39
GPR139 Q6DWJ6 1/20 0.39
GRIN2B Q13224 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
SCHEMBL3318164 0.82 MAPT (0.60) MAPT
SCHEMBL27957364 0.80 PPARG (0.48) PDE2A
SCHEMBL20339323 0.75 LMNA (0.42) TEAD1MAPTPDE2A
SCHEMBL25153739 0.72 MAPT (0.62) MAPT
SCHEMBL4470860 0.72 SYK (0.53) ACACBMAPT
SCHEMBL14305233 0.72 MAPT (0.58) MAPT
SCHEMBL25153759 0.71 MAPT (0.64) MAPT
SCHEMBL22719529 0.71 TEAD1 (0.50) TEAD1
SCHEMBL29590499 0.71 TACR2 (0.49) MAPTCCRL2
SCHEMBL22499926 0.70 NOTUM (0.53)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100105651-A1 ANTAGONISTS OF SNS SODIUM CHANNELS VERNALIS (R&D) LIMITED (GB) 2010-04-29 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-20100105651-A1 ANTAGONISTS OF SNS SODIUM CHANNELS CNR1, OPRL1, CHRNA10 TEAD1 3844/4885ACACB 2762/4885ADORA2A 199/4885

“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.