SCHEMBL12469445

SCHEMBL12469445

CN(C)C(=O)c1cccc(-c2cccc(F)c2)c1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 6/20 0.59
PDK2 Q15119 1/20 0.51
FYN P06241 1/20 0.50
CYP3A4 P08684 1/20 0.50
MAP4K1 Q92918 1/20 0.50
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
KCNA5 P22460 1/20 0.48
KCNH2 Q12809 1/20 0.48
RELA Q04206 3/20 0.47
KEAP1 Q14145 1/20 0.46
NFE2L2 Q16236 1/20 0.46
PARP1 P09874 1/20 0.46
ESR2 Q92731 1/20 0.46
OPRM1 P35372 1/20 0.46
OPRL1 P41146 1/20 0.46
KAT6A Q92794 1/20 0.46

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
SCHEMBL255000 0.89 CES2 (0.61) ERN1FYNCES2CES1PARP1
SCHEMBL29482201 0.89 CES2 (0.61) ERN1FYNCES2CES1PARP1
SCHEMBL14784157 0.84 TRPM8 (0.56) ERN1CES2CES1RELAOPRM1
SCHEMBL30283775 0.84 ERN1 (0.60) ERN1PDK2CYP3A4MAP4K1KCNA5
SCHEMBL1135975 0.84 ERN1 (0.60) ERN1PDK2CYP3A4MAP4K1KCNA5
Hydrochloric Acid SCHEMBL28646857 0.82 ERN1 (0.59) ERN1PDK2CYP3A4MAP4K1KCNA5
SCHEMBL17795214 0.79 ERN1 (0.60) ERN1PDK2CYP3A4MAP4K1
SCHEMBL12472078 0.79 ERN1 (0.56) ERN1PDK2CYP3A4MAP4K1PARP1
SCHEMBL18311613 0.79 ERN1 (0.64) ERN1PDK2FYN
SCHEMBL7406706 0.79 MEN1 (0.55) ERN1PDK2CYP3A4

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-8765667-B2 HCV protease inhibitors EISSENSTAT MICHAEL (US) 2014-07-01 US disclosed
US-20110182854-A1 HCV PROTEASE INHIBITORS SEQUOIA PHARMACEUTICALS, INC. (US) 2011-07-28 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-20110182854-A1 HCV PROTEASE INHIBITORS SERPINB1, CTSC, HPN ERN1 419/4885PDK2 3658/4885FYN 4242/4885

“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.