SCHEMBL900644

SCHEMBL900644

Cc1nc2c(O)cccn2c(=O)c1CCCl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 3/20 0.53
ADRA2B P18089 3/20 0.53
ADRA2C P18825 3/20 0.53
ADRA1A P35348 3/20 0.53
HTR1A P08908 2/20 0.53
DRD2 P14416 1/20 0.53
HTR2A P28223 1/20 0.53
KDM4E B2RXH2 4/20 0.49
ALDH1A1 P00352 2/20 0.49
GAA P10253 2/20 0.49
LMNA P02545 1/20 0.49
GLA P06280 1/20 0.49
MPI P34949 1/20 0.49
MAPT P10636 4/20 0.41
ENPP2 Q13822 1/20 0.40
RECQL P46063 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CASR P41180 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 2/20 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
Hydrochloric Acid SCHEMBL900773 0.99 ADRA2A (0.52) ADRA2AADRA2BADRA2CADRA1AHTR1A
SCHEMBL7886328 0.89 ADRA2A (0.53) ADRA2AADRA2BADRA2CADRA1AHTR1A
SCHEMBL900661 0.89 ADRA2A (0.55) ADRA2AADRA2BADRA2CADRA1AHTR1A
SCHEMBL2899691 0.88 MAPT (0.55) ADRA2AADRA2BADRA2CADRA1AHTR1A
Hydrochloric Acid SCHEMBL3422321 0.88 ADRA2A (0.54) ADRA2AADRA2BADRA2CADRA1AHTR1A
Bromide SCHEMBL7147879 0.86 ADRA2A (0.51) ADRA2AADRA2BADRA2CADRA1AHTR1A
SCHEMBL5108689 0.86 KDM4E (0.51) ADRA2AADRA2BADRA2CADRA1AKDM4E
SCHEMBL2902371 0.86 KDM4E (0.51) ADRA2AADRA2BADRA2CADRA1AHTR1A
Hydrochloric Acid SCHEMBL11357932 0.84 KDM4E (0.54) ADRA2AADRA2BADRA2CADRA1AHTR1A
SCHEMBL28430176 0.84 ENPP2 (0.43) ADRA2AADRA2BADRA2CADRA1AHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117700410-A Preparation method of 3- (2-chloroethyl) -2-methyl-9-hydroxy-4H-pyrido [1,2-a ] pyrimidine-4-ketone 山东康诺生物工程有限公司 2024-03-15 CN claimed
CN-112979643-B 3- (2-chloroethyl) -9-hydroxy-2-methyl-4H-pyrido [1,2-a ] pyrimidin-4-one 重庆医科大学 2022-05-03 CN claimed
CN-112979643-A 3- (2-chloroethyl) -9-hydroxy-2-methyl-4H-pyrido [1,2-a ] pyrimidin-4-one 重庆医科大学 2021-06-18 CN claimed
US-8481729-B2 Processes for the preparation of paliperidone MSN LABORATORIES LIMITED (IN) 2013-07-09 US claimed
EP-2475663-A2 PALIPERIDONE OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF SUBSTANTIALLY FREE OF IMPURITIES Actavis Group Ptc Ehf (IS) 2012-07-18 EP claimed
US-20120164188-A1 PALIPERIDONE OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF SUBSTANTIALLY FREE OF IMPURITIES ACTAVIS GROUP PTC EHF (IS) 2012-06-28 US claimed
US-8071767-B2 Process for preparation of 9-hydroxy-3-(2-chloroethyl)-2-methyl-4H-pyrido[1,2-A]pyrimidin-4-one hydrochloride ACTAVIS GROUP PTC EHF (IS) 2011-12-06 US claimed
US-20110293889-A1 NOVEL AND IMPROVED PROCESSES FOR THE PREPARATION OF PALIPERIDONE MSN LABORATORIES LIMITED (IN) 2011-12-01 US claimed
WO-2011073997-A2 PROCESS FOR PREPARING PALIPERIDONE AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF CADILA HEALTHCARE LIMITED (IN) 2011-06-23 WO claimed
EP-2300467-A2 NOVEL AND IMPROVED PROCESSES FOR THE PREPARATION OF PALIPERIDONE MSN Laboratories Limited (IN) 2011-03-30 EP claimed
WO-2009116071-A2 AN IMPROVED PROCESS FOR PREPARATION OF PALIPERIDONE Watson Pharma Private Limited (IN) 2009-09-24 WO claimed
EP-2046790-A2 PROCESS FOR THE SYNTHESIS OF CMHTP AND INTERMEDIATES THEREOF Teva Pharmaceutical Industries Ltd. (IL) 2009-04-15 EP claimed
WO-2009045489-A2 PROCESS FOR THE SYNTHESIS OF CMHTP, A PALIPERIDONE INTERMEDIATE TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2009-04-09 WO claimed
US-20090048272-A1 PREPARATION OF PALIPERIDONE DR. REDDY'S LABORATORIES, INC. 2009-02-19 US claimed
WO-2008140646-A2 PROCESS FOR THE SYNTHESIS OF CMHTP AND INTERMEDIATES THEREOF TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2008-11-20 WO claimed
US-20080214809-A1 Process for the synthesis of CMHTP and intermediates thereof TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2008-09-04 US claimed
US-20080200676-A1 Process for the synthesis of CMHTP and intermediates thereof TEVA PHARMACEUTICALS USA, INC. 2008-08-21 US claimed
WO-2008087557-A2 AN IMPROVED PROCESS FOR PREPARATION OF 9-HYDROXY-3-(2-CHLOROETHYL)- 2-METHYL-4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE HYDROCHLORIDE ACTAVIS GROUP PTC EHF (US) 2008-07-24 WO claimed
EP-1924583-A2 PROCESS FOR THE SYNTHESIS OF CMHTP AND INTERMEDIATES THEREOF Teva Pharmaceutical Industries Ltd. (IL) 2008-05-28 EP claimed
WO-2008024415-A2 PROCESS FOR THE SYNTHESIS OF CMHTP AND INTERMEDIATES THEREOF TEVA PHARMACEUTICAL INSUSTRIES LTD. (IL) 2008-02-28 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20080214809-A1 Process for the synthesis of CMHTP and intermediates thereof HAMP, TPMT, MPHOSPH6 ADRA2A 1411/4885ADRA2B 1034/4885ADRA2C 1304/4885
US-20090048272-A1 PREPARATION OF PALIPERIDONE ADCYAP1R1, AVPR2, PRLHR ADRA2A 388/4885ADRA2B 463/4885ADRA2C 870/4885
US-20080200676-A1 Process for the synthesis of CMHTP and intermediates thereof HAMP, DHPS, MPHOSPH6 ADRA2A 797/4885ADRA2B 695/4885ADRA2C 1213/4885
US-20110293889-A1 NOVEL AND IMPROVED PROCESSES FOR THE PREPARATION OF PALIPERIDONE AVPR2, AVPR1B, AVPR1A ADRA2A 503/4885ADRA2B 408/4885ADRA2C 870/4885
US-20120164188-A1 PALIPERIDONE OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF SUBSTANTIALLY FREE OF IMPURITIES REN, DHPS, AVPR2 ADRA2A 359/4885ADRA2B 600/4885ADRA2C 433/4885

“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.