SCHEMBL12428786

SCHEMBL12428786

CC(=O)OC1CCCn2c1nc(C)c(CCN1CCC(c3noc4cc(F)ccc34)CC1)c2=O

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.78
HTR2A P28223 10/20 0.78
DRD3 P35462 3/20 0.78
ADRA2A P08913 3/20 0.78
HTR2C P28335 3/20 0.78
ADRA1A P35348 3/20 0.78
HRH1 P35367 3/20 0.78
KCNH2 Q12809 3/20 0.78
ADRA2B P18089 2/20 0.78
ADRA2C P18825 2/20 0.78
DRD1 P21728 2/20 0.78
DRD4 P21917 2/20 0.78
DRD5 P21918 2/20 0.78
HTR1D P28221 2/20 0.78
HTR1B P28222 2/20 0.78
HTR7 P34969 2/20 0.78
SCN5A Q14524 2/20 0.78
KCND3 Q9UK17 1/20 0.78
ACHE P22303 3/20 0.69
SLC6A4 P31645 2/20 0.69

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
SCHEMBL19484373 0.93 HTR2A (0.76) DRD2HTR2ADRD3ADRA2AHTR2C
SCHEMBL12724003 0.93 HTR2A (0.67) DRD2HTR2ADRD3ADRA2AHTR2C
SCHEMBL18849833 0.92 HTR2A (0.75) DRD2HTR2ADRD3ADRA2AHTR2C
SCHEMBL6883333 0.92 HTR2A (0.75) DRD2HTR2ADRD3ADRA2AHTR2C
SCHEMBL3152563 0.92 DRD2 (0.75) DRD2HTR2ADRD3ADRA2AHTR2C
SCHEMBL3147845 0.92 HTR2A (0.74) DRD2HTR2ADRD3ADRA2AHTR2C
Hydrochloric Acid SCHEMBL3147935 0.92 HTR2A (0.74) DRD2HTR2ADRD3ADRA2AHTR2C
SCHEMBL15489518 0.92 DRD2 (0.74) DRD2HTR2ADRD3ADRA2AHTR2C
SCHEMBL12415616 0.92 DRD2 (0.74) DRD2HTR2ADRD3ADRA2AHTR2C
SCHEMBL7979151 0.91 DRD2 (0.81) DRD2HTR2ADRD3ADRA2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2683717-B1 PREPARATION OF 3-[2-[4-((6-FLUORO-1, 2-BENZISOXAZOL-3-YL)-L-PIPERIDINYL)-6, 7, 8, 9-TETRAHYDRO-9-HYDROXY-2-METHYL-4H-PYRIDO[ 1, 2-A]-PYRIMIDIN-4-ONE (PALIPERIDONE) AND PALIPERIDONE PALMITATE. RAMAMOHAN RAO DAVULURI (IN) 2016-05-25 EP disclosed
US-8314110-B2 Compounds for treating mental disorders, and preparation and uses thereof LI YOUXIN (CN) 2012-11-20 US disclosed
US-20120259116-A1 Novel Process for the Preparation of Paliperidone ALKEM LABORATORIES LIMITED (IN) 2012-10-11 US disclosed
US-20120259116-A1 Novel Process for the Preparation of Paliperidone ALKEM LABORATORIES LIMITED (IN) 2012-10-11 US disclosed
US-7977480-B2 Synthesis of paliperidone SYNTHON BV (NL) 2011-07-12 US disclosed
US-20100113482-A1 Novel Compounds for Treating Mental Disorders, and Preparation and Uses Thereof LI YOUXIN 2010-05-06 US disclosed
US-20100010218-A1 SYNTHESIS OF PALIPERIDONE SYNTHON BV (NL) 2010-01-14 US disclosed
US-20090209757-A1 Processes for the preparation and purification of paliperidone palmitate TEVA PHARMACEUTICALS USA, INC. 2009-08-20 US disclosed
US-20090156810-A1 SYNTHESIS OF PALIPERIDONE SYNTHON BV (NL) 2009-06-18 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

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

For each of this compound's patents that has machine-readable text (6 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-20100010218-A1 SYNTHESIS OF PALIPERIDONE AVPR2, NPPA, GCG DRD2 1126/4885HTR2A 890/4885DRD3 1723/4885
US-20100113482-A1 Novel Compounds for Treating Mental Disorders, and Preparation and Uses Thereof SLC18A2, SLC6A3, SLC6A2 DRD2 9/4885HTR2A 114/4885DRD3 41/4885
US-20090209757-A1 Processes for the preparation and purification of paliperidone palmitate GLP1R, DPP4, ADCYAP1R1 DRD2 651/4885HTR2A 374/4885DRD3 678/4885
US-20090156810-A1 SYNTHESIS OF PALIPERIDONE ACOX1, ALOX15B, ALOX15 DRD2 1765/4885HTR2A 633/4885DRD3 1065/4885
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 1860/4885DRD3 3594/4885
US-20120259116-A1 Novel Process for the Preparation of Paliperidone PARP16, ADCYAP1R1, AVPR2 DRD2 1442/4885HTR2A 267/4885DRD3 1758/4885

“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.