SCHEMBL2355304

SCHEMBL2355304

COC(=O)C1(NC(=O)Cc2cc(Br)ccc2C)CCC2(CC1)OCCO2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.35
FFAR4 Q5NUL3 1/20 0.35
ANO1 Q5XXA6 1/20 0.34
ANPEP P15144 1/20 0.33
SETDB1 Q15047 1/20 0.33
LMNA P02545 2/20 0.32
APP P05067 1/20 0.32
MEN1 O00255 2/20 0.32
GAA P10253 2/20 0.32
KMT2A Q03164 2/20 0.32
MAPT P10636 2/20 0.32
ALDH1A1 P00352 5/20 0.31
CYP2C9 P11712 1/20 0.31
PKM P14618 1/20 0.31
CYP2C19 P33261 1/20 0.31
KDM4E B2RXH2 2/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC5 Q9UQL6 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
SCHEMBL12362099 0.89 NPC1 (0.36) ANO1MEN1KMT2AMAPTALDH1A1
SCHEMBL12478445 0.86 FFAR4 (0.36) SMN1; SMN2FFAR4ANO1SETDB1LMNA
SCHEMBL2354233 0.85 MAPT (0.38) SMN1; SMN2FFAR4LMNAMEN1GAA
SCHEMBL2362284 0.84 ANO1 (0.32) ANO1ALDH1A1
SCHEMBL14689831 0.83 LMNA (0.38) FFAR4LMNAMEN1GAAKMT2A
SCHEMBL12456922 0.83 LMNA (0.38) FFAR4LMNAMEN1GAAKMT2A
SCHEMBL14689830 0.83 LMNA (0.38) FFAR4LMNAMEN1GAAKMT2A
SCHEMBL2362123 0.82 KMT2A (0.31) MEN1KMT2AALDH1A1
SCHEMBL14834162 0.82 SETDB1 (0.36) FFAR4SETDB1LMNAMEN1GAA
SCHEMBL14675856 0.81 FFAR4 (0.34) SMN1; SMN2FFAR4ANO1SETDB1LMNA

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 14 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 disclosed
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-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
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
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
EP-2739607-A1 SUBSTITUTED 3-(BIPHENYL-3-YL)-4-HYDROXY-8-METHOXY-1-AZASPIRO[4.5]DEC-3-EN-2-ONE Bayer Intellectual Property GmbH (DE) 2014-06-11 EP disclosed
US-20130040935-A1 CYCLIC KETO-ENOLS FOR THERAPY BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-02-14 US disclosed
US-20130040935-A1 CYCLIC KETO-ENOLS FOR THERAPY BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-02-14 US disclosed
US-20130040935-A1 CYCLIC KETO-ENOLS FOR THERAPY BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-02-14 US disclosed
WO-2013017600-A1 SUBSTITUTED 3-(BIPHENYL-3-YL)-4-HYDROXY-8-METHOXY-1-AZASPIRO[4.5]DEC-3-EN-2-ONE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-02-07 WO disclosed
EP-2536686-A1 CYCLIC KETO-ENOLS FOR THERAPY Bayer Intellectual Property GmbH (DE) 2012-12-26 EP disclosed
WO-2011098433-A1 CYCLIC KETO-ENOLS FOR THERAPY BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-08-18 WO disclosed
WO-2011098433-A1 CYCLIC KETO-ENOLS FOR THERAPY BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-08-18 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-20140275199-A1 SUBSTITUTED 3-(BIPHENYL-3-YL)-4-HYDROXY-8-METHOXY-1-AZASPIRO[4.5]DEC-3-EN-2-ONE MALT1, UGT1A3, BMI1 SMN1; SMN2 1619/4885FFAR4 848/4885ANO1 3949/4885
US-20130040935-A1 CYCLIC KETO-ENOLS FOR THERAPY AKR1B1, AKR1C3, AKR1A1 SMN1; SMN2 3654/4885FFAR4 1774/4885ANO1 3557/4885

“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.