SCHEMBL11903063

SCHEMBL11903063

COC1CCC2(CC1)NC(=O)C(c1cc(-c3ccc(Cl)c(F)c3)ccc1C)=C2O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACACB O00763 13/20 1.00
ACACA Q13085 13/20 1.00
BACE1 P56817 3/20 0.35
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
DAPK3 O43293 1/20 0.32
NTRK1 P04629 1/20 0.32
PIM1 P11309 1/20 0.32
FLT3 P36888 1/20 0.32
GSK3B P49841 1/20 0.32
ROCK1 Q13464 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32

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
SCHEMBL14700725 1.00 ACACB (1.00) ACACBACACABACE1HCRTR1HCRTR2
SCHEMBL11902895 1.00 ACACB (1.00) ACACBACACABACE1HCRTR1HCRTR2
SCHEMBL14700691 0.93 ACACB (0.87) ACACBACACABACE1
SCHEMBL14689734 0.93 ACACB (0.87) ACACBACACABACE1
SCHEMBL2353464 0.93 ACACB (0.87) ACACBACACABACE1
SCHEMBL6114014 0.93 ACACB (0.86) ACACBACACABACE1
SCHEMBL6114010 0.93 ACACB (0.86) ACACBACACABACE1
SCHEMBL8280694 0.93 ACACB (0.86) ACACBACACABACE1
SCHEMBL2350374 0.92 ACACB (0.84) ACACBACACABACE1HCRTR1HCRTR2
SCHEMBL14700688 0.92 ACACB (0.84) ACACBACACABACE1HCRTR1HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9212140-B2 (5s,8s)-3-(4′-chlor-3′-fluor-4-methlybiphenyl-3-yl)-4-hydroxy-8-methoxy-1-azaspiro[4.5] dec-3-en-2-one (compound A) for treatment BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-12-15 US claimed
US-20140031407-A1 (5S,8S)-3-(4'-CHLOR-3'-FLUOR-4-METHLYBIPHENYL-3-YL)-4-HYDROXY-8-METHOXY-1-AZASPIRO[4.5]DEC-3-EN-2-ONE (COMPOUND A) FOR TREATMENT BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-01-30 US claimed
US-9212140-B2 (5s,8s)-3-(4′-chlor-3′-fluor-4-methlybiphenyl-3-yl)-4-hydroxy-8-methoxy-1-azaspiro[4.5] dec-3-en-2-one (compound A) for treatment BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-12-15 US disclosed
US-9212140-B2 (5s,8s)-3-(4′-chlor-3′-fluor-4-methlybiphenyl-3-yl)-4-hydroxy-8-methoxy-1-azaspiro[4.5] dec-3-en-2-one (compound A) for treatment BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-12-15 US disclosed
US-20140031407-A1 (5S,8S)-3-(4'-CHLOR-3'-FLUOR-4-METHLYBIPHENYL-3-YL)-4-HYDROXY-8-METHOXY-1-AZASPIRO[4.5]DEC-3-EN-2-ONE (COMPOUND A) FOR TREATMENT BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-01-30 US disclosed
US-20140031407-A1 (5S,8S)-3-(4'-CHLOR-3'-FLUOR-4-METHLYBIPHENYL-3-YL)-4-HYDROXY-8-METHOXY-1-AZASPIRO[4.5]DEC-3-EN-2-ONE (COMPOUND A) FOR TREATMENT BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-01-30 US disclosed
EP-2670408-A1 (5S,8S)-3-(4'-CHLOR-3'-FLUOR-4-METHLYBIPHENYL-3-YL)-4-HYDROXY-8-METHOXY-1-AZASPIRO[4.5]DEC-3-EN-2-ONE (COMPOUND A) FOR TREATMENT Bayer Intellectual Property GmbH (DE) 2013-12-11 EP disclosed
EP-2670408-A1 (5S,8S)-3-(4'-CHLOR-3'-FLUOR-4-METHLYBIPHENYL-3-YL)-4-HYDROXY-8-METHOXY-1-AZASPIRO[4.5]DEC-3-EN-2-ONE (COMPOUND A) FOR TREATMENT Bayer Intellectual Property GmbH (DE) 2013-12-11 EP disclosed
US-20130040935-A1 CYCLIC KETO-ENOLS FOR THERAPY BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-02-14 US disclosed
WO-2012104428-A1 (5S,8S)-3-(4'-CHLOR-3'-FLUOR-4-METHLYBIPHENYL-3-YL)-4-HYDROXY-8-METHOXY-1-AZASPIRO[4.5]DEC-3-EN-2-ONE (COMPOUND A) FOR TREATMENT BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-08-09 WO disclosed
WO-2012104428-A1 (5S,8S)-3-(4'-CHLOR-3'-FLUOR-4-METHLYBIPHENYL-3-YL)-4-HYDROXY-8-METHOXY-1-AZASPIRO[4.5]DEC-3-EN-2-ONE (COMPOUND A) FOR TREATMENT BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-08-09 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-20130040935-A1 CYCLIC KETO-ENOLS FOR THERAPY AKR1B1, AKR1C3, AKR1A1 ACACB 310/4885ACACA 541/4885BACE1 3453/4885
US-20140031407-A1 (5S,8S)-3-(4'-CHLOR-3'-FLUOR-4-METHLYBIPHENYL-3-YL)-4-HYDROXY-8-METHOXY-1-AZASPIRO[4.5]DEC-3-EN-2-ONE (COMPOUND A) FOR TREATMENT AZI2, CYP8B1, VHL ACACB 1728/4885ACACA 2009/4885BACE1 3682/4885

“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.