SCHEMBL4635315

SCHEMBL4635315

Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCC=C2

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 13/20 0.71
HTR2A P28223 12/20 0.71
HTR2C P28335 4/20 0.71
KCNH2 Q12809 3/20 0.71
ACHE P22303 3/20 0.71
ADRA2A P08913 2/20 0.71
ADRA2B P18089 2/20 0.71
ADRA2C P18825 2/20 0.71
DRD1 P21728 2/20 0.71
DRD4 P21917 2/20 0.71
DRD5 P21918 2/20 0.71
HTR1D P28221 2/20 0.71
HTR1B P28222 2/20 0.71
HTR7 P34969 2/20 0.71
ADRA1A P35348 2/20 0.71
HRH1 P35367 2/20 0.71
DRD3 P35462 2/20 0.71
SCN5A Q14524 2/20 0.71
SLC6A4 P31645 2/20 0.71
HTR1A P08908 2/20 0.71

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
SCHEMBL3146202 0.89 DRD2 (0.77) DRD2HTR2AHTR2CKCNH2ACHE
SCHEMBL4616132 0.86 DRD2 (0.53) DRD2HTR2AHTR2CKCNH2ACHE
SCHEMBL7283232 0.85 DRD2 (0.72) DRD2HTR2AHTR2CKCNH2ACHE
SCHEMBL9594506 0.84 DRD2 (0.74) DRD2HTR2AHTR2CKCNH2ACHE
SCHEMBL7952591 0.84 DRD2 (0.74) DRD2HTR2AHTR2CKCNH2ACHE
SCHEMBL16263410 0.84 DRD2 (0.73) DRD2HTR2AHTR2CKCNH2ACHE
SCHEMBL7323722 0.83 DRD2 (0.75) DRD2HTR2AHTR2CKCNH2ACHE
Risperidone SCHEMBL27911 0.83 DRD2 (1.00) DRD2HTR2AHTR2CKCNH2ACHE
Risperidone SCHEMBL5070793 0.83 DRD2 (1.00) DRD2HTR2AHTR2CKCNH2ACHE
SCHEMBL9594562 0.83 DRD2 (0.77) DRD2HTR2AHTR2CKCNH2ACHE

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080214808-A1 Preparation of Aseptic 3-[2-[4-((6-Fluoro-1,2-Benzisoxazol-3-Yl)-1-Piperidinyl]-6,7,8,9-Tetrahydro-9-Hydroxy-2-Methyl-4H-Pyrido[1,2-a]Pyrimidin-4-One Palmitate Ester SPITTAELS THOMAS FREDERIK ERNESTINE 2008-09-04 US claimed
EP-1879890-A1 PREPARATION OF ASEPTIC 3-[2-[4-(6-FLUORO-1,2-BENZISOXAZOL-3-YL)-1-PIPERIDINYL]ETHYL]-6,7,8,9-TETRAHYDRO-9-HYDROXY-2-METHYL-4H-PYRIDIO[1,2-A]PYRIMIDIN-4-ONE PALMITATE ESTER JANSSEN PHARMACEUTICA N.V. (BE) 2008-01-23 EP claimed
WO-2006114384-A1 PREPARATION OF ASEPTIC 3-[2-[4-(6-FLUORO-1,2-BENZISOXAZOL-3-YL)-1-PIPERIDINYL]ETHYL]-6,7,8,9-TETRAHYDRO-9-HYDROXY-2-METHYL-4H-PYRIDIO[1,2-A]PYRIMIDIN-4-ONE PALMITATE ESTER JANSSEN PHARMACEUTICA N.V. (BE) 2006-11-02 WO claimed
CN-101163702-B Preparation of sterile 3- [2- [4- (6-fluoro-1) JANSSEN PHARMACEUTICA NV 2011-09-07 CN disclosed
US-20080214808-A1 Preparation of Aseptic 3-[2-[4-((6-Fluoro-1,2-Benzisoxazol-3-Yl)-1-Piperidinyl]-6,7,8,9-Tetrahydro-9-Hydroxy-2-Methyl-4H-Pyrido[1,2-a]Pyrimidin-4-One Palmitate Ester SPITTAELS THOMAS FREDERIK ERNESTINE 2008-09-04 US disclosed
US-20080214808-A1 Preparation of Aseptic 3-[2-[4-((6-Fluoro-1,2-Benzisoxazol-3-Yl)-1-Piperidinyl]-6,7,8,9-Tetrahydro-9-Hydroxy-2-Methyl-4H-Pyrido[1,2-a]Pyrimidin-4-One Palmitate Ester SPITTAELS THOMAS FREDERIK ERNESTINE 2008-09-04 US disclosed
US-20080214808-A1 Preparation of Aseptic 3-[2-[4-((6-Fluoro-1,2-Benzisoxazol-3-Yl)-1-Piperidinyl]-6,7,8,9-Tetrahydro-9-Hydroxy-2-Methyl-4H-Pyrido[1,2-a]Pyrimidin-4-One Palmitate Ester SPITTAELS THOMAS FREDERIK ERNESTINE 2008-09-04 US disclosed
US-20080214808-A1 Preparation of Aseptic 3-[2-[4-((6-Fluoro-1,2-Benzisoxazol-3-Yl)-1-Piperidinyl]-6,7,8,9-Tetrahydro-9-Hydroxy-2-Methyl-4H-Pyrido[1,2-a]Pyrimidin-4-One Palmitate Ester SPITTAELS THOMAS FREDERIK ERNESTINE 2008-09-04 US disclosed
CN-101163702-A Preparation of sterile 3- [ 2- [ 4- (6-fluoro-1, 2-benziso * oxazol-3-yl) -1-piperidinyl ] ethyl ] -6, 7,8, 9-tetrahydro-9-hydroxy-2-methyl-4H-pyrido [1, 2-a ] pyrimidin-4-one palmitate JANSSEN PHARMACEUTICA NV (BE) 2008-04-16 CN disclosed
EP-1879890-A1 PREPARATION OF ASEPTIC 3-[2-[4-(6-FLUORO-1,2-BENZISOXAZOL-3-YL)-1-PIPERIDINYL]ETHYL]-6,7,8,9-TETRAHYDRO-9-HYDROXY-2-METHYL-4H-PYRIDIO[1,2-A]PYRIMIDIN-4-ONE PALMITATE ESTER JANSSEN PHARMACEUTICA N.V. (BE) 2008-01-23 EP disclosed
EP-1879890-A1 PREPARATION OF ASEPTIC 3-[2-[4-(6-FLUORO-1,2-BENZISOXAZOL-3-YL)-1-PIPERIDINYL]ETHYL]-6,7,8,9-TETRAHYDRO-9-HYDROXY-2-METHYL-4H-PYRIDIO[1,2-A]PYRIMIDIN-4-ONE PALMITATE ESTER JANSSEN PHARMACEUTICA N.V. (BE) 2008-01-23 EP disclosed
WO-2006114384-A1 PREPARATION OF ASEPTIC 3-[2-[4-(6-FLUORO-1,2-BENZISOXAZOL-3-YL)-1-PIPERIDINYL]ETHYL]-6,7,8,9-TETRAHYDRO-9-HYDROXY-2-METHYL-4H-PYRIDIO[1,2-A]PYRIMIDIN-4-ONE PALMITATE ESTER JANSSEN PHARMACEUTICA N.V. (BE) 2006-11-02 WO disclosed
WO-2006114384-A1 PREPARATION OF ASEPTIC 3-[2-[4-(6-FLUORO-1,2-BENZISOXAZOL-3-YL)-1-PIPERIDINYL]ETHYL]-6,7,8,9-TETRAHYDRO-9-HYDROXY-2-METHYL-4H-PYRIDIO[1,2-A]PYRIMIDIN-4-ONE PALMITATE ESTER JANSSEN PHARMACEUTICA N.V. (BE) 2006-11-02 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 (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-20080214808-A1 Preparation of Aseptic 3-[2-[4-((6-Fluoro-1,2-Benzisoxazol-3-Yl)-1-Piperidinyl]-6,7,8,9-Tetrahydro-9-Hydroxy-2-Methyl-4H-Pyrido[1,2-a]Pyrimidin-4-One Palmitate Ester CASP1, FFAR1, FFAR4 DRD2 3643/4885HTR2A 1860/4885HTR2C 2619/4885

“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.