SCHEMBL4674083

SCHEMBL4674083

CCCCC(=O)NC1CCCC1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.77
HDAC3 O15379 2/20 0.65
HDAC1 Q13547 2/20 0.65
HDAC2 Q92769 2/20 0.65
HDAC10 Q969S8 2/20 0.65
HDAC11 Q96DB2 2/20 0.65
HDAC8 Q9BY41 2/20 0.65
HDAC6 Q9UBN7 2/20 0.65
NCOR2 Q9Y618 1/20 0.65
GNAI3 P08754 1/20 0.60
GNAO1 P09471 1/20 0.60
GNAI1 P63096 1/20 0.60
ALDH1A1 P00352 2/20 0.58
HPGD P15428 2/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
MAPT P10636 1/20 0.57
CNR2 P34972 1/20 0.55
EPHX1 P07099 6/20 0.54
EPHX2 P34913 1/20 0.53

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
SCHEMBL7494872 0.98 SMN1; SMN2 (0.74) SMN1; SMN2HDAC3HDAC1HDAC2HDAC10
SCHEMBL23989211 0.98 SMN1; SMN2 (0.74) SMN1; SMN2HDAC3HDAC1HDAC2HDAC10
SCHEMBL11928063 0.94 SMN1; SMN2 (0.81) SMN1; SMN2HDAC3HDAC1HDAC2HDAC10
Carbamic Acid SCHEMBL4671849 0.93 SMN1; SMN2 (0.67) SMN1; SMN2HDAC3HDAC1HDAC2HDAC10
Hexadecanoic Acid Cyclopentylamide SCHEMBL1456473 0.92 SMN1; SMN2 (0.78) SMN1; SMN2HDAC3HDAC1HDAC2HDAC10
SCHEMBL1456736 0.92 SMN1; SMN2 (0.78) SMN1; SMN2HDAC3HDAC1HDAC2HDAC10
SCHEMBL22055472 0.92 SMN1; SMN2 (0.78) SMN1; SMN2HDAC3HDAC1HDAC2HDAC10
SCHEMBL11525129 0.92 SMN1; SMN2 (0.78) SMN1; SMN2HDAC3HDAC1HDAC2HDAC10
SCHEMBL931252 0.92 SMN1; SMN2 (0.78) SMN1; SMN2HDAC3HDAC1HDAC2HDAC10
SCHEMBL28342770 0.92 SMN1; SMN2 (0.78) SMN1; SMN2HDAC3HDAC1HDAC2HDAC10

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118271246-A Method for continuously preparing 2-butyl-1, 3-diazaspiro [4.4] nonane-1-en-4-one 浙江华海药业股份有限公司 2024-07-02 CN 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 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
EP-0998463-A1 PROCESS FOR THE PREPARATION OF 1,3-DIAZA-SPIRO (4.4) NON-1-EN-4-ONE DERIVATIVES AND 1-CYANO-1-ACYLAMINOCYCLOPENTANE INTERMEDIATES SANOFI-SYNTHELABO (FR) 2000-05-10 EP claimed
EP-0998462-A1 PROCESS FOR THE PREPARATION OF 1,3-DIAZA-SPIRO (4.4) NON-1-EN-4-ONE DERIVATIVES AND 1-CYANO-1-ACYLAMINO-CYCLOPENTANE INTERMEDIATES SANOFI-SYNTHELABO (FR) 2000-05-10 EP claimed
WO-1999005119-A1 PROCESS FOR THE PREPARATION OF 1,3-DIAZA-SPIRO (4.4) NON-1-EN-4-ONE DERIVATIVES AND 1-CYANO-1-ACYLAMINO-CYCLOPENTANE INTERMEDIATES SANOFI-SYNTHELABO (FR) 1999-02-04 WO claimed
WO-1999005120-A1 PROCESS FOR THE PREPARATION OF 1,3-DIAZA-SPIRO (4.4) NON-1-EN-4-ONE DERIVATIVES AND 1-CYANO-1-ACYLAMINOCYCLOPENTANE INTERMEDIATES SANOFI-SYNTHELABO (FR) 1999-02-04 WO claimed
CN-118724999-A Synthesis of cholic acid derivative and application of cholic acid derivative as TGR5 allosteric agonist 常州大学 2024-10-01 CN disclosed
CN-115710298-B Cholic acid derivative, preparation method thereof and application of cholic acid derivative as TGR5 allosteric agonist 常州大学 2024-10-01 CN disclosed
CN-118271246-A Method for continuously preparing 2-butyl-1, 3-diazaspiro [4.4] nonane-1-en-4-one 浙江华海药业股份有限公司 2024-07-02 CN disclosed
WO-2023168974-A1 CHOLIC ACID DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF AS TGR5 ALLOSTERIC AGONIST 常州大学 2023-09-14 WO 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
EP-1089978-A4 PROCESS FOR PREPARING OXIMIDAZOLES SALSBURY CHEMICALS INC (US) 2003-08-06 EP disclosed
EP-1089978-A1 PROCESS FOR PREPARING OXIMIDAZOLES Salsbury Chemicals, Inc. (US) 2001-04-11 EP disclosed
WO-2000000476-A1 PROCESS FOR PREPARING OXIMIDAZOLES SALSBURY CHEMICALS, INC. (US) 2000-01-06 WO disclosed
US-5910595-A Process for preparing oximidazoles SALSBURY CHEMICALS, INC. (US) 1999-06-08 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-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 SMN1; SMN2 4121/4885HDAC3 330/4885HDAC1 1227/4885

“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.