SCHEMBL16042148

SCHEMBL16042148

COC1(C(F)(F)F)CCC2(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 11)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 13/20 1.00
▸ ACACA Q13085 13/20 1.00
▸ DAPK3 O43293 1/20 0.33
▸ NTRK1 P04629 1/20 0.33
▸ PIM1 P11309 1/20 0.33
▸ FLT3 P36888 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ ROCK1 Q13464 1/20 0.33
▸ CLK4 Q9HAZ1 1/20 0.33
▸ MGAT2 Q10469 1/20 0.31
▸ PGR P06401 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
SCHEMBL16080658 1.00 ACACB (1.00) ACACBACACADAPK3NTRK1PIM1
SCHEMBL16042150 1.00 ACACB (1.00) ACACBACACADAPK3NTRK1PIM1
SCHEMBL16080657 0.90 ACACB (1.00) ACACBACACADAPK3NTRK1PIM1
SCHEMBL16042159 0.90 ACACB (1.00) ACACBACACADAPK3NTRK1PIM1
SCHEMBL16042157 0.90 ACACB (1.00) ACACBACACADAPK3NTRK1PIM1
SCHEMBL16080656 0.88 ACACB (1.00) ACACBACACADAPK3NTRK1PIM1
SCHEMBL14700733 0.88 ACACB (0.78) ACACBACACADAPK3NTRK1PIM1
SCHEMBL16045105 0.88 ACACB (1.00) ACACBACACADAPK3NTRK1PIM1
SCHEMBL14676053 0.88 ACACB (0.78) ACACBACACADAPK3NTRK1PIM1
SCHEMBL16045104 0.88 ACACB (1.00) ACACBACACADAPK3NTRK1PIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9278925-B2 Substituted 3-(biphenyl-3-yl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-03-08 — — US claimed
US-20140275199-A1 SUBSTITUTED 3-(BIPHENYL-3-YL)-4-HYDROXY-8-METHOXY-1-AZASPIRO[4.5]DEC-3-EN-2-ONE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-09-18 — — US claimed
US-9278925-B2 Substituted 3-(biphenyl-3-yl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-03-08 — — US disclosed
US-20140275199-A1 SUBSTITUTED 3-(BIPHENYL-3-YL)-4-HYDROXY-8-METHOXY-1-AZASPIRO[4.5]DEC-3-EN-2-ONE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-09-18 — — US 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-20140275199-A1 SUBSTITUTED 3-(BIPHENYL-3-YL)-4-HYDROXY-8-METHOXY-1-AZASPIRO[4.5]DEC-3-EN-2-ONE MALT1, UGT1A3, BMI1 ACACB 1121/4885ACACA 1826/4885DAPK3 1712/4885

“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.

Send feedback