SCHEMBL4271986

SCHEMBL4271986

CON=C1CC[C](c2cccc(-c3cncnc3)c2)CC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 13/20 0.38
KCNH2 Q12809 3/20 0.38
ATM Q13315 1/20 0.37
CYP2A6 P11509 1/20 0.35
BACE2 Q9Y5Z0 2/20 0.33
SCN8A Q9UQD0 1/20 0.33
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
CTSD P07339 1/20 0.31
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31
NEK1 Q96PY6 1/20 0.31

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
SCHEMBL4267608 0.84 KIF11 (0.41) CYP2A6CYP11B1CYP11B2
SCHEMBL4271991 0.81 BACE1 (0.39) BACE1KCNH2ATMCYP11B1CYP11B2
SCHEMBL4266656 0.76 ERN1 (0.34) CYP2A6CNR1
SCHEMBL4263275 0.76 PRMT6 (0.40) KCNH2CYP2A6CNR1
SCHEMBL4259802 0.74 KIF11 (0.41)
SCHEMBL4260824 0.73 CNR1 (0.33) BACE1CNR1
SCHEMBL22089054 0.72 ATM (0.67) BACE1KCNH2ATMCYP2A6SCN8A
SCHEMBL22428530 0.70 ATM (0.64) BACE1KCNH2ATMCYP2A6SCN8A
SCHEMBL22428553 0.70 ATM (0.64) BACE1KCNH2ATMCYP2A6SCN8A
SCHEMBL4255690 0.69 ERCC1 (0.41) BACE1BACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090042961-A1 OXIME DERIVATIVE SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. 2009-02-12 US claimed
US-20070149584-A9 Oxime derivative substituted hydroxyethylamine aspartyl protease inhibitors JOHN VARGHESE 2007-06-28 US claimed
EP-1773758-A1 OXIME DERIVATIVE HYDROXYETHYLAMINE ASPARTYL-PROTEASE INHIBITORS Elan Pharmaceuticals, Inc. (US) 2007-04-18 EP claimed
EP-1773756-A2 OXIME DERIVATIVE SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS Elan Pharmaceuticals, Inc. (US) 2007-04-18 EP claimed
US-20060135581-A1 Oxime derivative substituted hydroxyethylamine aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. 2006-06-22 US claimed
US-20060128715-A1 Oxime derivative hydroxyethylamine aspartyl-protease inhibitors ELAN PHARMACEUTICALS, INC. 2006-06-15 US claimed
WO-2006010094-A1 OXIME DERIVATIVE HYDROXYETHYLAMINE ASPARTYL-PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2006-01-26 WO claimed
WO-2006010095-A2 OXIME DERIVATIVE SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS INC. (US) 2006-01-26 WO claimed
US-20090042961-A1 OXIME DERIVATIVE SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. 2009-02-12 US disclosed
US-7385085-B2 Oxime derivative substituted hydroxyethylamine aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. (US) 2008-06-10 US disclosed
US-20070149584-A9 Oxime derivative substituted hydroxyethylamine aspartyl protease inhibitors JOHN VARGHESE 2007-06-28 US disclosed
EP-1773758-A1 OXIME DERIVATIVE HYDROXYETHYLAMINE ASPARTYL-PROTEASE INHIBITORS Elan Pharmaceuticals, Inc. (US) 2007-04-18 EP disclosed
EP-1773756-A2 OXIME DERIVATIVE SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS Elan Pharmaceuticals, Inc. (US) 2007-04-18 EP disclosed
US-20060135581-A1 Oxime derivative substituted hydroxyethylamine aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. 2006-06-22 US disclosed
US-20060128715-A1 Oxime derivative hydroxyethylamine aspartyl-protease inhibitors ELAN PHARMACEUTICALS, INC. 2006-06-15 US disclosed
WO-2006010094-A1 OXIME DERIVATIVE HYDROXYETHYLAMINE ASPARTYL-PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2006-01-26 WO disclosed
WO-2006010095-A2 OXIME DERIVATIVE SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS INC. (US) 2006-01-26 WO 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 (4 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-20060135581-A1 Oxime derivative substituted hydroxyethylamine aspartyl protease inhibitors ASPH, DNPEP, APP BACE1 18/4885KCNH2 4458/4885ATM 1326/4885
US-20090042961-A1 OXIME DERIVATIVE SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS ASPH, DNPEP, APP BACE1 18/4885KCNH2 4458/4885ATM 1326/4885
US-20070149584-A9 Oxime derivative substituted hydroxyethylamine aspartyl protease inhibitors ASPH, DNPEP, APP BACE1 18/4885KCNH2 4458/4885ATM 1326/4885
US-20060128715-A1 Oxime derivative hydroxyethylamine aspartyl-protease inhibitors ASPH, DNPEP, APP BACE1 19/4885KCNH2 4509/4885ATM 1444/4885

“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.