SCHEMBL861264

SCHEMBL861264

CC(C)(C)OC(=O)N1CCCc2cccnc21

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
CYP11B2 P19099 4/20 0.43
HDAC6 Q9UBN7 3/20 0.42
HDAC1 Q13547 1/20 0.42
GRM5 P41594 3/20 0.41
GPR119 Q8TDV5 2/20 0.41
GRM1 Q13255 2/20 0.41
MAPK1 P28482 1/20 0.41
FGFR4 P22455 1/20 0.41
MTNR1A P48039 1/20 0.41
NOTUM Q6P988 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
DTYMK P23919 1/20 0.39

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
SCHEMBL22226808 0.96 POLB (0.44) POLBCYP11B2HDAC6HDAC1GRM5
SCHEMBL30462275 0.92 POLB (0.47) POLBCYP11B2HDAC6HDAC1GRM5
SCHEMBL16203250 0.80 CYP11B2 (0.73) CYP11B2
SCHEMBL30474547 0.79 MPO (0.41) CYP11B2GRM5GPR119FGFR4
SCHEMBL6190206 0.79 MPO (0.41) CYP11B2GRM5GPR119FGFR4
SCHEMBL27094830 0.79 POLB (0.45) POLBHDAC6HDAC1GRM5GPR119
SCHEMBL29362288 0.79 HDAC1 (0.48) POLBCYP11B2HDAC6HDAC1FGFR4
SCHEMBL6013073 0.79 HDAC1 (0.48) POLBCYP11B2HDAC6HDAC1FGFR4
SCHEMBL23214739 0.78 MPO (0.41) CYP11B2GPR119FGFR4
SCHEMBL15467011 0.78 POLB (0.44) POLBHDAC6HDAC1GRM5GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024260259-A1 INTEGRIN LIGAND AND USE THEREOF 广东众生睿创生物科技有限公司 2024-12-26 WO disclosed
CN-117642396-A Alpha V beta 6 and alpha V beta 1 integrin inhibitors and uses thereof 戴斯分子SV有限公司 2024-03-01 CN disclosed
CN-117615760-A Extended dosage regimen for integrin inhibitors 普利安特治疗公司 2024-02-27 CN disclosed
CN-116323606-A Azetidine derivatives for the treatment of integrin-associated diseases 诺丁汉大学 2023-06-23 CN disclosed
CN-115989235-A Methods of treating respiratory diseases using amino acid compounds 普利安特治疗公司 2023-04-18 CN disclosed
CN-113354635-B Pyrrolidine integrin regulator and application thereof 清药同创(北京)药物研发中心有限公司 2023-04-18 CN disclosed
CN-110167934-B Cyclobutane-and azetidine-containing monocyclic and spiro compounds as alpha V integrin inhibitors 百时美施贵宝公司 2022-06-10 CN disclosed
CN-108715590-B Thiazolecarboxamide and picolinamide compounds useful as PIM kinase inhibitors 因赛特公司 2022-03-08 CN disclosed
CN-114057732-A Pyrrolidine integrin regulator and application thereof 清药同创(北京)药物研发中心有限公司 2022-02-18 CN disclosed
US-8173646-B2 FAB I inhibitors AFFINIUM PHARMACEUTICALS, INC. (CA) 2012-05-08 US disclosed
US-7524843-B2 N-methyl-N-(1-methyl-1H-indol-3-ylmethyl)-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)acrylamide as an enzyme inhibitor for both Fab I and Fab K which are used in the biosynthesis of fatty acids; enoyl-acyl-carrier protein renamed Fab 1; bactericides; fungicides; Staphylococcus aureus; antibiotics AFFINIUM PHARMACEUTICALS, INC. (CA) 2009-04-28 US disclosed
US-20080125423-A1 Fab I Inhibitors DEBIOPHARM INTERNATIONAL SA (CH) 2008-05-29 US disclosed
US-20080125423-A1 Fab I Inhibitors DEBIOPHARM INTERNATIONAL SA (CH) 2008-05-29 US disclosed
US-20080125423-A1 Fab I Inhibitors DEBIOPHARM INTERNATIONAL SA (CH) 2008-05-29 US disclosed
US-20050250810-A1 FAB I inhibitors AFFINIUM PHARMACEUTICALS, INC. (CA) 2005-11-10 US disclosed
US-6846819-B1 Fab I inhibitors AFFINIUM PHARMACEUTICALS, INC. (CA) 2005-01-25 US disclosed
EP-1226138-B1 FAB I INHIBITORS AFFINIUM PHARM INC (CA) 2004-12-29 EP disclosed
EP-1226138-A4 FAB I INHIBITORS SMITHKLINE BEECHAM CORP (US) 2003-03-05 EP disclosed
EP-1226138-A1 FAB I INHIBITORS SmithKline Beecham Corporation (US) 2002-07-31 EP disclosed
WO-2001027103-A1 FAB I INHIBITORS SMITHKLINE BEECHAM CORPORATION (GB) 2001-04-19 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-20050250810-A1 FAB I inhibitors SERPINB1, TFPI, TFPI2 POLB 568/4885CYP11B2 3110/4885HDAC6 356/4885
US-20080125423-A1 Fab I Inhibitors SERPINB1, TFPI, TFPI2 POLB 568/4885CYP11B2 3110/4885HDAC6 356/4885

“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.