SCHEMBL4674085

SCHEMBL4674085

CCCC(C(N)=O)C1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 5/20 0.47
SMN1; SMN2 Q16637 1/20 0.38
SHBG P04278 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.34
CPN1 P15169 1/20 0.34
CPB2 Q96IY4 1/20 0.34
METAP1 P53582 1/20 0.34
DPP4 P27487 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HIF1A Q16665 1/20 0.34

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
SCHEMBL4281689 0.98 EPHX1 (0.50) EPHX1SMN1; SMN2SHBGALDH1A1KDM4E
SCHEMBL28995693 0.96 EPHX1 (0.42) EPHX1SMN1; SMN2CA1CA2CPN1
SCHEMBL4188387 0.92 CA1 (0.38) EPHX1SMN1; SMN2CA1CA2CPN1
SCHEMBL1478217 0.89 CA1 (0.46) EPHX1CA1CA2METAP1DPP4
SCHEMBL1478219 0.89 CA1 (0.46) EPHX1CA1CA2METAP1DPP4
SCHEMBL931251 0.87 EPHX1 (0.47) EPHX1CA1CA2METAP1DPP4
SCHEMBL4537552 0.85 LCK (0.42) EPHX1ALDH1A1
SCHEMBL11010077 0.84 EPHX1 (0.44) EPHX1ALDH1A1
SCHEMBL27719303 0.84 EPHX1 (0.44) EPHX1ALDH1A1
SCHEMBL2752774 0.83 EPHX1 (0.50) EPHX1SHBGALDH1A1CPN1CPB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101239975-A Synthesis of 2-butyl-3-(2'-(1-trityl-1h-tetrazol-5-yl)biphenyl-4-yl)methyl-1,3-diazaspirol[4,4]-non-ene-4-one TEVA PHARMA (IL) 2008-08-13 CN claimed
EP-1590343-B1 SYNTHESIS OF 2-BUTYL-3-(2' -(1-TRITYL-1H-TETRAZOL-5-YL)BIPHEN YL-4-YL)-1,3-DIAZASPIRO-4,4 -NONENE-4-ONE TEVA PHARMA (IL) 2008-07-16 EP claimed
CN-1771246-A Synthesis of 2-butyl-3- (2' - (1-trityl-1H-tetrazol-5-yl) biphenyl-4-yl) -1, 3-diazaspiro [4.4] non-en-4-one TEVA PHARMA (IL) 2006-05-10 CN claimed
EP-1590343-A1 SYNTHESIS OF 2-BUTYL-3-(2 -(1-TRITYL-1H-TETRAZOL-5-YL)BIPHEN YL-4-YL)-1,3-DIAZASPIROL 4,4 -NON-ENE-4-ONE Teva Pharmaceutical Industries Limited (IL) 2005-11-02 EP claimed
US-20040242894-A1 Novel synthesis of 2-butyl-3-(2'-(1-trityl-1H-tetrazol-5-yl)biphenyl-4-yl)-1,3-diazaspiro[4.4]-non-ene-4-one TEVA PHARMACEUTICALS USA, INC. 2004-12-02 US claimed
WO-2004072064-A1 SYNTHESIS OF 2-BUTYL-3-(2'-(1-TRITYL-1H-TETRAZOL-5-YL)BIPHENYL-4-YL)-1,3-DIAZASPIROL[4,4]-NON-ENE-4-ONE TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2004-08-26 WO claimed
CN-101239975-A Synthesis of 2-butyl-3-(2'-(1-trityl-1h-tetrazol-5-yl)biphenyl-4-yl)methyl-1,3-diazaspirol[4,4]-non-ene-4-one TEVA PHARMA (IL) 2008-08-13 CN disclosed
CN-101239930-A Synthesis of 2-butyl-3-(2'-(1-trityl-1h-tetrazol-5-yl)biphenyl-4-yl)methyl-1,3-diazaspirol[4,4]-non-ene-4-one TEVA PHARMA (IL) 2008-08-13 CN disclosed
CN-101239974-A Synthesis of 2-butyl-3-(2'-(1-trityl-1h-tetrazol-5-yl)biphenyl-4-yl)methyl-1,3-diazaspirol[4,4]-non-ene-4-one TEVA PHARMA (IL) 2008-08-13 CN disclosed
EP-1590343-B1 SYNTHESIS OF 2-BUTYL-3-(2' -(1-TRITYL-1H-TETRAZOL-5-YL)BIPHEN YL-4-YL)-1,3-DIAZASPIRO-4,4 -NONENE-4-ONE TEVA PHARMA (IL) 2008-07-16 EP disclosed
US-7312340-B2 Synthesis of 2-butyl-3-(1-trityl-1H-tetrazol-5-YL)biphenyl-4-YL)-1,3-diazaspiro[4,4]- non-ene-4-one TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2007-12-25 US disclosed
US-20060128967-A1 Novel synthesis of 2-Butyl-3-(1-trityl-1H-tetrazol-5-YL)biphenyl-4-YL)-1,3-diazaspiro[4,4]- non-ene-4-one DOLITZKY BEN-ZION 2006-06-15 US disclosed
CN-1771246-A Synthesis of 2-butyl-3- (2' - (1-trityl-1H-tetrazol-5-yl) biphenyl-4-yl) -1, 3-diazaspiro [4.4] non-en-4-one TEVA PHARMA (IL) 2006-05-10 CN disclosed
US-7038060-B2 Synthesis of 2-butyl-3-(2′-(1-trityl-1H-tetrazol-5-yl)biphenyl-4-yl)-1,3-diazaspiro[4.4]-non-ene-4-one TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2006-05-02 US disclosed
EP-1590343-A1 SYNTHESIS OF 2-BUTYL-3-(2 -(1-TRITYL-1H-TETRAZOL-5-YL)BIPHEN YL-4-YL)-1,3-DIAZASPIROL 4,4 -NON-ENE-4-ONE Teva Pharmaceutical Industries Limited (IL) 2005-11-02 EP disclosed
US-20040242894-A1 Novel synthesis of 2-butyl-3-(2'-(1-trityl-1H-tetrazol-5-yl)biphenyl-4-yl)-1,3-diazaspiro[4.4]-non-ene-4-one TEVA PHARMACEUTICALS USA, INC. 2004-12-02 US disclosed
WO-2004072064-A1 SYNTHESIS OF 2-BUTYL-3-(2'-(1-TRITYL-1H-TETRAZOL-5-YL)BIPHENYL-4-YL)-1,3-DIAZASPIROL[4,4]-NON-ENE-4-ONE TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2004-08-26 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-20040242894-A1 Novel synthesis of 2-butyl-3-(2'-(1-trityl-1H-tetrazol-5-yl)biphenyl-4-yl)-1,3-diazaspiro[4.4]-non-ene-4-one AGTR1, AGTR2, TEK EPHX1 1772/4885SMN1; SMN2 4121/4885SHBG 2616/4885
US-20060128967-A1 Novel synthesis of 2-Butyl-3-(1-trityl-1H-tetrazol-5-YL)biphenyl-4-YL)-1,3-diazaspiro[4,4]- non-ene-4-one AGTR1, TEK, AGTR2 EPHX1 1578/4885SMN1; SMN2 3892/4885SHBG 2418/4885

“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.