SCHEMBL4263279

SCHEMBL4263279

CON=C1CCC(c2cccc(-c3ccsc3)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.51
DRD3 P35462 1/20 0.51
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
CCR5 P51681 1/20 0.39
PRMT6 Q96LA8 1/20 0.37
BCL9 O00512 1/20 0.36
CTNNB1 P35222 1/20 0.36
CYP2E1 P05181 1/20 0.35
CYP2A6 P11509 1/20 0.35
CYP2B6 P20813 1/20 0.35
TACR1 P25103 1/20 0.34
CNR1 P21554 1/20 0.33
HTR2C P28335 2/20 0.33
NOTUM Q6P988 1/20 0.32
BACE1 P56817 1/20 0.32
ALOX5 P09917 1/20 0.32
FPR2 P25090 1/20 0.32
ERN1 O75460 1/20 0.32
STK10 O94804 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
SCHEMBL4267611 0.82 NMT1 (0.37) DRD2DRD3PRMT6TACR1HTR2C
SCHEMBL4263275 0.82 PRMT6 (0.40) DRD2DRD3SLC6A4SLC6A3PRMT6
SCHEMBL5713690 0.81 DRD2 (0.58) DRD2DRD3SLC6A4SLC6A3CCR5
SCHEMBL4271991 0.79 BACE1 (0.39) CYP2B6TACR1HTR2CNOTUMBACE1
SCHEMBL4266661 0.78 ROCK2 (0.35) TACR1CNR1HTR2CNOTUMFPR2
SCHEMBL5668465 0.77 DRD2 (0.61) DRD2DRD3SLC6A4SLC6A3CCR5
SCHEMBL4260828 0.75 HTR2C (0.35) CNR1HTR2CNOTUM
SCHEMBL12757011 0.73 GAA (0.47) DRD2
SCHEMBL4259806 0.72 HTR2C (0.39) DRD2HTR2C
SCHEMBL7354177 0.68 DRD3 (1.00) DRD2DRD3

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 18 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-7385085-B2 Oxime derivative substituted hydroxyethylamine aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. (US) 2008-06-10 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-1773756-A2 OXIME DERIVATIVE SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS Elan Pharmaceuticals, Inc. (US) 2007-04-18 EP disclosed
EP-1773758-A1 OXIME DERIVATIVE 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 DRD2 4051/4885DRD3 4211/4885SLC6A4 1934/4885
US-20090042961-A1 OXIME DERIVATIVE SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS ASPH, DNPEP, APP DRD2 4051/4885DRD3 4211/4885SLC6A4 1934/4885
US-20070149584-A9 Oxime derivative substituted hydroxyethylamine aspartyl protease inhibitors ASPH, DNPEP, APP DRD2 4051/4885DRD3 4211/4885SLC6A4 1934/4885
US-20060128715-A1 Oxime derivative hydroxyethylamine aspartyl-protease inhibitors ASPH, DNPEP, APP DRD2 4016/4885DRD3 4182/4885SLC6A4 2199/4885

“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.