SCHEMBL5713795

SCHEMBL5713795

CC(C)Cc1ccc2c(c1)C(C)CC(O)N2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
PTGS2 P35354 4/20 0.35
PTGS1 P23219 3/20 0.35
LMNA P02545 3/20 0.35
CYP2C9 P11712 3/20 0.35
ESR1 P03372 3/20 0.35
AKR1C3 P42330 2/20 0.35
CXCR1 P25024 2/20 0.35
CXCR2 P25025 2/20 0.35
ALOX5 P09917 2/20 0.35
NFKB1 P19838 2/20 0.35
HTR2A P28223 2/20 0.35
BLM P54132 2/20 0.35
PMP22 Q01453 2/20 0.35
ALB P02768 1/20 0.35
RARB P10826 1/20 0.35
ADRB3 P13945 1/20 0.35
NR1I3 Q14994 1/20 0.35
SLC22A6 Q4U2R8 1/20 0.35

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
SCHEMBL5714201 0.81 ESR1 (0.36) ESR1
SCHEMBL5714055 0.75 GABRA1 (0.38) GABRA1GABRB2PTGS2PTGS1LMNA
SCHEMBL5713790 0.75 GABRA1 (0.38) GABRA1GABRB2PTGS2PTGS1LMNA
SCHEMBL5714062 0.74 GABRA1 (0.37) GABRA1GABRB2PTGS2PTGS1LMNA
SCHEMBL5714197 0.72 GABRA1 (0.40) GABRA1GABRB2PTGS2PTGS1LMNA
SCHEMBL21310160 0.68 GABRA1 (0.40) GABRA1GABRB2PTGS2PTGS1LMNA
SCHEMBL2936143 0.66 GABRA1 (0.44) GABRA1GABRB2PTGS2PTGS1LMNA
SCHEMBL24806246 0.65 GABRA1 (0.47) GABRA1GABRB2PTGS2PTGS1LMNA
SCHEMBL20008485 0.65 GABRA1 (0.47) GABRA1GABRB2PTGS2PTGS1LMNA
SCHEMBL19492401 0.65 GABRA1 (0.43) GABRA1GABRB2PTGS2PTGS1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1734961-A2 METHODS OF TREATMENT OF AMYLOIDOSIS USING BI-CYCLIC ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2006-12-27 EP claimed
US-20050239832-A1 Methods of treatment of amyloidosis using bi-cyclic aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. 2005-10-27 US claimed
WO-2005087714-A2 METHODS OF TREATMENT OF AMYLOIDOSIS USING BI-CYCLIC ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-09-22 WO claimed
EP-1734961-A2 METHODS OF TREATMENT OF AMYLOIDOSIS USING BI-CYCLIC ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2006-12-27 EP disclosed
US-20050239832-A1 Methods of treatment of amyloidosis using bi-cyclic aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. 2005-10-27 US disclosed
WO-2005087714-A2 METHODS OF TREATMENT OF AMYLOIDOSIS USING BI-CYCLIC 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 (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-20050239832-A1 Methods of treatment of amyloidosis using bi-cyclic aspartyl protease inhibitors APP, DNPEP, BACE1 GABRA1 3601/4885GABRB2 2654/4885PTGS2 4181/4885

“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.