SCHEMBL801449

SCHEMBL801449

Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2C

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 14/20 0.85
HTR2A P28223 13/20 0.85
HTR2C P28335 3/20 0.84
KCNH2 Q12809 3/20 0.84
ADRA2A P08913 2/20 0.84
ADRA2B P18089 2/20 0.84
ADRA2C P18825 2/20 0.84
DRD1 P21728 2/20 0.84
DRD4 P21917 2/20 0.84
DRD5 P21918 2/20 0.84
HTR1D P28221 2/20 0.84
HTR1B P28222 2/20 0.84
HTR7 P34969 2/20 0.84
ADRA1A P35348 2/20 0.84
HRH1 P35367 2/20 0.84
DRD3 P35462 2/20 0.84
SCN5A Q14524 2/20 0.84
KCND3 Q9UK17 1/20 0.84
HTR1A P08908 4/20 0.76
ACHE P22303 3/20 0.76

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
Paliperidone SCHEMBL67205 0.91 DRD2 (1.00) DRD2HTR2AHTR2CKCNH2ADRA2A
Paliperidone SCHEMBL20572022 0.91 DRD2 (1.00) DRD2HTR2AHTR2CKCNH2ADRA2A
Paliperidone SCHEMBL29377584 0.91 DRD2 (1.00) DRD2HTR2AHTR2CKCNH2ADRA2A
Paliperidone SCHEMBL436689 0.91 DRD2 (1.00) DRD2HTR2AHTR2CKCNH2ADRA2A
Paliperidone SCHEMBL11899798 0.91 DRD2 (1.00) DRD2HTR2AHTR2CKCNH2ADRA2A
SCHEMBL17245287 0.91 DRD2 (0.84) DRD2HTR2AHTR2CKCNH2ADRA2A
Paliperidone SCHEMBL29409219 0.91 DRD2 (1.00) DRD2HTR2AHTR2CKCNH2ADRA2A
SCHEMBL22146698 0.91 DRD2 (0.84) DRD2HTR2AHTR2CKCNH2ADRA2A
Paliperidone SCHEMBL1443676 0.91 DRD2 (0.98) DRD2HTR2AHTR2CKCNH2ADRA2A
SCHEMBL21074591 0.91 HTR2A (0.83) DRD2HTR2AHTR2CKCNH2ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11559482-B2 Biodegradable polyethylene glycol based water-insoluble hydrogels ASCENDIS PHARMA A/S (DE) 2023-01-24 US disclosed
US-20180064713-A1 Modulators of Androgen Synthesis Tangent Reprofiling Limited (GB) 2018-03-08 US disclosed
US-9808462-B2 Modulators of androgen synthesis Tangent Reprofiling Limited (GB) 2017-11-07 US disclosed
US-20170189407-A1 Modulators of Androgen Synthesis Tangent Reprofiling Limited (GB) 2017-07-06 US disclosed
US-20170165268-A1 Modulators of Androgen Synthesis Tangent Reprofiling Limited (GB) 2017-06-15 US disclosed
US-9585887-B2 Modulators of androgen synthesis Tangent Reprofiling Limited (GB) 2017-03-07 US disclosed
US-20120071493-A1 SUBSTITUTED 8-SULFONYL-2,3,4,5-TETRAHYDRO-1H-GAMMA-CARBOLINES, LIGANDS AND PHARMACEUTICAL COMPOSITION; METHOD FOR THE PRODUCTION AND USE OF SAME IVASHCHENKO ANDREY ALEXANDROVICH (RU) 2012-03-22 US disclosed
US-20120071493-A1 SUBSTITUTED 8-SULFONYL-2,3,4,5-TETRAHYDRO-1H-GAMMA-CARBOLINES, LIGANDS AND PHARMACEUTICAL COMPOSITION; METHOD FOR THE PRODUCTION AND USE OF SAME IVASHCHENKO ANDREY ALEXANDROVICH (RU) 2012-03-22 US disclosed
US-7977480-B2 Synthesis of paliperidone SYNTHON BV (NL) 2011-07-12 US disclosed
US-20110136853-A1 LIGAND WITH A BROAD SPECTRUM OF PHARMACOLOGICAL ACTIVITY, A PHARMACEUTICAL COMPOSITION, A MEDICINAL AGENT AND A METHOD OF TREATMENT IVASCHENKO ANDREY ALEXANDROVICH 2011-06-09 US disclosed
EP-2236511-A2 LIGANDS OF ALPHA-ADRENOCEPTORS AND OF DOPAMINE, HISTAMINE, IMIDAZOLINE AND SEROTONIN RECEPTORS AND THE USE THEREOF Alla Chem, LLC. (US) 2010-10-06 EP disclosed
US-20100010218-A1 SYNTHESIS OF PALIPERIDONE SYNTHON BV (NL) 2010-01-14 US disclosed
WO-2009082268-A2 LIGANDS OF α-ADRENOCEPTORS AND OF DOPAMINE, HISTAMINE, IMIDAZOLINE AND SEROTONIN RECEPTORS AND THE USE THEREOF ALLA CHEM, LLC (US) 2009-07-02 WO disclosed
US-20090156810-A1 SYNTHESIS OF PALIPERIDONE SYNTHON BV (NL) 2009-06-18 US disclosed
US-20090036470-A1 PALIPERIDONE DERIVATIVES SYNTHON BV (NL) 2009-02-05 US disclosed
WO-2009016653-A1 STABLE POLYMORPHIC FORM OF PALIPERIDONE AND PROCESS FOR ITS PREPARATION NATCO PHARMA LIMITED (IN) 2009-02-05 WO 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
EP-0453042-B1 Novel 2,9-disubstituted-4H-pyrido-[1,2-a]pyrimidin-4-ones JANSSEN PHARMACEUTICA NV (BE) 1999-11-03 EP disclosed
US-5482943-A ANTIPSYCHOTIC AGENTS, DOPAMINE ANTAGONIST JANSSEN PHARMACEUTICA N.V. (BE) 1996-01-09 US disclosed
EP-0453042-A1 Novel 2,9-disubstituted-4H-pyrido-[1,2-a]pyrimidin-4-ones JANSSEN PHARMACEUTICA N.V. (BE) 1991-10-23 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 (10 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 890/4885HTR2C 1370/4885
US-20110136853-A1 LIGAND WITH A BROAD SPECTRUM OF PHARMACOLOGICAL ACTIVITY, A PHARMACEUTICAL COMPOSITION, A MEDICINAL AGENT AND A METHOD OF TREATMENT CNR1, TRPV1, TRPM7 DRD2 98/4885HTR2A 130/4885HTR2C 76/4885
US-20180064713-A1 Modulators of Androgen Synthesis NR5A1, AR, CYP17A1 DRD2 4195/4885HTR2A 1165/4885HTR2C 1291/4885
US-20090156810-A1 SYNTHESIS OF PALIPERIDONE ACOX1, ALOX15B, ALOX15 DRD2 1765/4885HTR2A 633/4885HTR2C 726/4885
US-20090036470-A1 PALIPERIDONE DERIVATIVES NPY1R, NPY4R, GLP1R DRD2 440/4885HTR2A 501/4885HTR2C 383/4885
US-11559482-B2 Biodegradable polyethylene glycol based water-insoluble hydrogels PLG, PHYKPL, PLOD3 DRD2 3619/4885HTR2A 4239/4885HTR2C 4218/4885
US-20120071493-A1 SUBSTITUTED 8-SULFONYL-2,3,4,5-TETRAHYDRO-1H-GAMMA-CARBOLINES, LIGANDS AND PHARMACEUTICAL COMPOSITION; METHOD FOR THE PRODUCTION AND USE OF SAME SIGMAR1, ADRA2C, ADRB2 DRD2 62/4885HTR2A 47/4885HTR2C 9/4885
US-20170165268-A1 Modulators of Androgen Synthesis NR5A1, AR, CYP17A1 DRD2 4195/4885HTR2A 1165/4885HTR2C 1291/4885
US-20170189407-A1 Modulators of Androgen Synthesis NR5A1, AR, CYP17A1 DRD2 4195/4885HTR2A 1165/4885HTR2C 1291/4885
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 1860/4885HTR2C 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.