SCHEMBL5121809

SCHEMBL5121809

CCOC(=O)CN1C2CC(=O)CC1CC(C(=O)OCC)C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 2/20 0.40
GSK3B P49841 2/20 0.40
ALDH1A1 P00352 7/20 0.38
ELANE P08246 1/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
ABL1 P00519 1/20 0.37
RIN1 Q13671 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAPT P10636 3/20 0.36
POLB P06746 1/20 0.36
PIN1 Q13526 1/20 0.36
PIN4 Q9Y237 1/20 0.36
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
KDM4E B2RXH2 2/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36

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
SCHEMBL5653075 0.94 ALDH1A1 (0.39) GSK3AGSK3BALDH1A1ELANEKMT2A
SCHEMBL30028689 0.85 MEN1 (0.43) GSK3AGSK3BALDH1A1KMT2AMEN1
SCHEMBL5114769 0.84 MEN1 (0.40) GSK3AGSK3BALDH1A1ELANEKMT2A
SCHEMBL3645840 0.83 GSK3A (0.45) GSK3AGSK3BALDH1A1ELANEKMT2A
SCHEMBL8912197 0.82 KMT2A (0.45) ALDH1A1KMT2AMEN1MAPTPOLB
SCHEMBL8912207 0.81 MEN1 (0.38) GSK3AGSK3BALDH1A1KMT2AMEN1
SCHEMBL3689858 0.79 BRD4 (0.41) ALDH1A1KMT2AMEN1KDM4EGAA
Ethyl Bromo Acetate SCHEMBL30029142 0.79 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1ABL1RIN1
SCHEMBL915985 0.78 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1POLBHPGD
Hydrochloric Acid SCHEMBL3693041 0.77 BRD4 (0.39) ALDH1A1KMT2AMEN1KDM4EGAA

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
US-20080275241-A1 Polymorphic Forms of Dolasetron Base and Processes of Preparing Dolasetron Base, Its Polymorphic Forms and Salt Thereof USV LIMITED (IN) 2008-11-06 US disclosed
US-20080275241-A1 Polymorphic Forms of Dolasetron Base and Processes of Preparing Dolasetron Base, Its Polymorphic Forms and Salt Thereof USV LIMITED (IN) 2008-11-06 US disclosed
US-20070299260-A1 Method for Preparing Hexahydro-8-Hydroxy-2, 6-Methano-2H-Chinolizin-3 (4H) -One Esters CILAG LTD. (CH) 2007-12-27 US disclosed
EP-1819705-A1 METHOD FOR PREPARING HEXAHYDRO-8-HYDROXY-2,6-METHANO-2H-CHINOLIZIN-3(4H)-ONE ESTERS Cilag Ltd. (CH) 2007-08-22 EP disclosed
WO-2007072507-A2 POLYMORPHIC FORMS OF DOLASETRON BASE AND PROCESSES OF PREPARING DOLASETRON BASE, ITS POLYMORPHIC FORMS AND SALT THEREOF USV LIMITED (IN) 2007-06-28 WO disclosed
WO-2007072506-A2 POLYMORPHIC FORMS OF DOLASETRON MESYLATE AND PROCESSES THEREOF USV LIMITED (IN) 2007-06-28 WO disclosed
WO-2006056081-A1 METHOD FOR PREPARING HEXAHYDRO-8-HYDROXY-2,6-METHANO-2H-CHINOLIZIN-3(4H)-ONE ESTERS CILAG LTD. (CH) 2006-06-01 WO disclosed
US-5910501-A Use of certain esters of hexahydro-8-hydroxy-2,6-methano-2H-quinolozin-3(4H)-one and related compounds for treating cognitive disorders MERRELL PHARMACEUTICALS INC. (US) 1999-06-08 US disclosed
EP-0329932-B1 Use of quinolizine and quinolizinone derivatives in the manufacture of medicaments MERRELL DOW PHARMA (US) 1995-10-18 EP disclosed
EP-0266730-B1 Esters of hexadydro-8-hydroxy-2,6-methano-2H-quinolizin-3(4H)-one and related compounds MERRELL DOW PHARMA (US) 1994-08-10 EP disclosed
EP-0494002-A2 Use of certain esters of hexahydro-8-hydroxy-2, 6-methano-2H-quinolizin-3(4H)-one and related compounds for the preparation of medicaments for treating cognitive disorders MERRELL DOW PHARMACEUTICALS INC. (US) 1992-07-08 EP disclosed
EP-0492020-A1 Use of certain esters of hexahydro-8-hydroxy-2,6-methano-2H-quinolizin-3(4H)-one and related compounds for treating cognitive disorders MERRELL DOW PHARMACEUTICALS INC. (US) 1992-07-01 EP disclosed
US-5011846-A Medicament compositions derived from quinolizine and quinolizinone and methods of use thereof MERRELL DOW PHARMACEUTICALS INC. (US) 1991-04-30 US disclosed
US-4906755-A Esters of hexahydro-8-hydroxy-2,6-methano-2H-quinolizin-3-(4H)-one and related compounds MERRELL DOW PHARMACEUTICALS INC. (US) 1990-03-06 US disclosed
EP-0330824-A1 Use of quinolizine and quinolizinone derivatives in the manufacture of medicaments for the treatment of cardiac arrhythmias MERRELL DOW PHARMACEUTICALS INC. (US) 1989-09-06 EP disclosed
EP-0329932-A2 Use of quinolizine and quinolizinone derivatives in the manufacture of medicaments MERRELL PHARMACEUTICALS INC. (US) 1989-08-30 EP disclosed
EP-0266730-A1 Esters of hexadydro-8-hydroxy-2,6-methano-2H-quinolizin-3(4H)-one and related compounds MERRELL DOW PHARMACEUTICALS INC. (US) 1988-05-11 EP 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-20080275241-A1 Polymorphic Forms of Dolasetron Base and Processes of Preparing Dolasetron Base, Its Polymorphic Forms and Salt Thereof CYP4A11, CYP3A43, VKORC1 GSK3A 1509/4885GSK3B 1506/4885ALDH1A1 3375/4885
US-20070299260-A1 Method for Preparing Hexahydro-8-Hydroxy-2, 6-Methano-2H-Chinolizin-3 (4H) -One Esters CYP4Z1, HDHD5, HCAR2 GSK3A 3758/4885GSK3B 4142/4885ALDH1A1 541/4885

“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.