SCHEMBL2874273

SCHEMBL2874273

OCCC1(c2cc(F)cc(F)c2)CO1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNA1 P02708 1/20 0.37
CHRNG P07510 1/20 0.37
CHRNB1 P11230 1/20 0.37
CHRNB2 P17787 1/20 0.37
SLC6A2 P23975 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37
SLC6A3 Q01959 1/20 0.37
CHRND Q07001 1/20 0.37
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
HSD11B1 P28845 1/20 0.30
CYP2C19 P33261 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL1832696 0.72 SLC6A3 (0.36) SLC6A2SLC6A3CA12CA1CA9
SCHEMBL2874324 0.72 HSD11B1 (0.37) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL3454385 0.72 HSD11B1 (0.36) CYP3A4CYP2C9HSD11B1CYP2C19CA9
SCHEMBL4771886 0.72 HSD11B1 (0.36) CYP3A4CYP2C9HSD11B1CYP2C19CA9
SCHEMBL8723263 0.72 HSD11B1 (0.38) CYP3A4CYP2C9HSD11B1CYP2C19
SCHEMBL9005074 0.72 HSD11B1 (0.38) CYP3A4CYP2C9HSD11B1CYP2C19
SCHEMBL28720682 0.68 CHRNA1 (0.46) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL8780969 0.67 HSD11B1 (0.39) CYP3A4CYP2C9HSD11B1
SCHEMBL28938053 0.66 SLC6A4 (0.43) SLC6A2SLC6A3HSD11B1
SCHEMBL28719471 0.66 SLC6A2 (0.40) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7858642-B2 Substituted hydroxyethylamine aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. (US) 2010-12-28 US disclosed
US-20090270367-A1 SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. 2009-10-29 US disclosed
EP-1730125-A2 SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2006-12-13 EP disclosed
US-20050239836-A1 Substituted hydroxyethylamine aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. 2005-10-27 US disclosed
WO-2005087751-A2 SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-09-22 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 (2 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-20090270367-A1 SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS DNPEP, MME, ANPEP CHRNA1 2683/4885CHRNG 2819/4885CHRNB1 2106/4885
US-20050239836-A1 Substituted hydroxyethylamine aspartyl protease inhibitors DNPEP, MME, ANPEP CHRNA1 2683/4885CHRNG 2819/4885CHRNB1 2106/4885

“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.