SCHEMBL5114769

SCHEMBL5114769

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

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 2/20 0.39
ALDH1A1 P00352 6/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
POLB P06746 1/20 0.35
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
ELANE P08246 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
SCHEMBL30028689 0.89 MEN1 (0.43) MEN1KMT2AMAPTALDH1A1CYP3A4
SCHEMBL8912197 0.86 KMT2A (0.45) MEN1KMT2AMAPTALDH1A1CYP3A4
SCHEMBL8912207 0.85 MEN1 (0.38) MEN1KMT2AMAPTALDH1A1CYP3A4
SCHEMBL5121809 0.84 GSK3A (0.40) MEN1KMT2AMAPTALDH1A1GSK3A
SCHEMBL8849464 0.83 MEN1 (0.37) MEN1KMT2AMAPTALDH1A1POLB
Ethyl Bromo Acetate SCHEMBL30029142 0.82 ALDH1A1 (0.47) MEN1KMT2AMAPTALDH1A1CYP3A4
Ethyl Bromo Acetate SCHEMBL30029347 0.80 ALDH1A1 (0.45) MEN1KMT2AMAPTALDH1A1CYP3A4
Ethyl Bromo Acetate SCHEMBL30028633 0.79 ALDH1A1 (0.44) MEN1KMT2AMAPTALDH1A1CYP3A4
SCHEMBL1693069 0.79 MEN1 (0.46) MEN1KMT2AMAPTALDH1A1CYP3A4
SCHEMBL8712493 0.79 MEN1 (0.46) MEN1KMT2AMAPTALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105086334-A Composite environment friendly flame retardant for ABS YANTAI SHUNLONG CHEMICAL TECHNOLOGY CO LTD 2015-11-25 CN 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-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
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
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-2007072506-A2 POLYMORPHIC FORMS OF DOLASETRON MESYLATE AND PROCESSES THEREOF USV LIMITED (IN) 2007-06-28 WO 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
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-0330788-A1 Use of quinolizine and quinolizinone derivatives in the manufacture of medicaments for the treatment of cardiac arrhythmia MERRELL DOW PHARMACEUTICALS INC. (US) 1989-09-06 EP 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-0329903-A1 Use of quinolizinone and quinolizine derivatives in the manufacture of medicaments for the treatment of glaucoma MERRELL DOW PHARMACEUTICALS INC. (US) 1989-08-30 EP disclosed
EP-0329904-A1 Use of quinolizine and quinolizinone derivatives in the manufacture of medicaments for the treatment of anxiety MERRELL DOW PHARMACEUTICALS INC. (US) 1989-08-30 EP disclosed
EP-0329905-A1 Use of quinolizine and quinolizinone derivatives in the manufacture of medicaments for increasing gastric motility MERRELL DOW PHARMACEUTICALS INC. (US) 1989-08-30 EP disclosed
EP-0329902-A1 Use of quinolizinone and quinolizine derivatives in the manufacture of medicaments for the treatment of psychosis MERRELL DOW PHARMACEUTICALS INC. (US) 1989-08-30 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 MEN1 2584/4885KMT2A 3853/4885MAPT 4200/4885
US-20070299260-A1 Method for Preparing Hexahydro-8-Hydroxy-2, 6-Methano-2H-Chinolizin-3 (4H) -One Esters CYP4Z1, HDHD5, HCAR2 MEN1 2258/4885KMT2A 1047/4885MAPT 4569/4885

“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.