SCHEMBL7979151

SCHEMBL7979151

COC1CCCn2c1nc(C)c(CCN1CCC(c3noc4cc(F)ccc34)CC1)c2=O

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 12/20 0.81
HTR2A P28223 11/20 0.81
KCNH2 Q12809 5/20 0.80
HTR2C P28335 4/20 0.80
ADRA1A P35348 3/20 0.80
HRH1 P35367 3/20 0.80
DRD3 P35462 3/20 0.80
ADRA2A P08913 2/20 0.80
ADRA2B P18089 2/20 0.80
ADRA2C P18825 2/20 0.80
DRD1 P21728 2/20 0.80
DRD4 P21917 2/20 0.80
DRD5 P21918 2/20 0.80
HTR1D P28221 2/20 0.80
HTR1B P28222 2/20 0.80
HTR7 P34969 2/20 0.80
SCN5A Q14524 2/20 0.80
KCND3 Q9UK17 1/20 0.80
ACHE P22303 3/20 0.73
HTR6 P50406 3/20 0.73

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
SCHEMBL13929410 0.93 DRD2 (0.80) DRD2HTR2AKCNH2HTR2CADRA1A
SCHEMBL15506067 0.92 DRD2 (0.79) DRD2HTR2AKCNH2HTR2CADRA1A
SCHEMBL12428786 0.91 DRD2 (0.78) DRD2HTR2AKCNH2HTR2CADRA1A
SCHEMBL8326588 0.91 DRD2 (0.77) DRD2HTR2AKCNH2HTR2CADRA1A
SCHEMBL12415657 0.90 DRD2 (0.76) DRD2HTR2AKCNH2HTR2CADRA1A
SCHEMBL19484373 0.90 HTR2A (0.76) DRD2HTR2AKCNH2HTR2CADRA1A
SCHEMBL15489408 0.90 HTR2A (0.76) DRD2HTR2AKCNH2HTR2CADRA1A
SCHEMBL801449 0.90 DRD2 (0.85) DRD2HTR2AKCNH2HTR2CADRA1A
SCHEMBL7942739 0.89 DRD2 (0.81) DRD2HTR2AKCNH2HTR2CADRA1A
SCHEMBL6883333 0.89 HTR2A (0.75) DRD2HTR2AKCNH2HTR2CADRA1A

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
EP-0730594-B1 9-HYDROXY-PYRIDO [1,2-a]PYRIMIDIN-4-ONE ETHER DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 1999-09-08 EP claimed
EP-3556759-A1 HAPTENS OF PALIPERIDONE Janssen Pharmaceutica NV (BE) 2019-10-23 EP disclosed
US-10370457-B2 Antibodies to paliperidone haptens and use thereof JANSSEN PHARMACEUTICA NV (BE) 2019-08-06 US disclosed
EP-2888258-B1 HAPTENS OF PALIPERIDONE JANSSEN PHARMACEUTICA NV (BE) 2019-06-05 EP disclosed
US-20170298147-A1 ANTIBODIES TO PALIPERIDONE HAPTENS AND USE THEREOF JANSSEN PHARMACEUTICA NV (BE) 2017-10-19 US disclosed
US-20170129968-A1 ANTIBODIES TO PALIPERIDONE HAPTENS AND USE THEREOF JANSSEN PHARMACEUTICA NV (BE) 2017-05-11 US disclosed
US-20130053405-A1 CARRIER LINKED PALIPERIDONE PRODRUGS ASCENDIS PHARMA AS (DK) 2013-02-28 US disclosed
WO-2010003702-A9 SYNTHESIS OF PALIPERIDONE SYNTHON B.V. (NL) 2010-12-02 WO disclosed
WO-2010003702-A1 SYNTHESIS OF PALIPERIDONE SYNTHON B.V. (NL) 2010-01-14 WO disclosed
US-20090036470-A1 PALIPERIDONE DERIVATIVES SYNTHON BV (NL) 2009-02-05 US disclosed
EP-0730594-B1 9-HYDROXY-PYRIDO [1,2-a]PYRIMIDIN-4-ONE ETHER DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 1999-09-08 EP disclosed
EP-0730594-A1 NOVEL 9-HYDROXY-PYRIDO [1,2-a]PYRIMIDIN-4-ONE ETHER DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1996-09-11 EP disclosed
WO-1995014691-A1 NOVEL 9-HYDROXY-PYRIDO[1,2-a]PYRIMIDIN-4-ONE ETHER DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1995-06-01 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 (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-10370457-B2 Antibodies to paliperidone haptens and use thereof LY96, OPRL1, HTR3C DRD2 380/4885HTR2A 33/4885KCNH2 2524/4885
US-20170298147-A1 ANTIBODIES TO PALIPERIDONE HAPTENS AND USE THEREOF LY96, OPRL1, HTR3C DRD2 380/4885HTR2A 33/4885KCNH2 2524/4885
US-20130053405-A1 CARRIER LINKED PALIPERIDONE PRODRUGS ZDHHC20, HDAC10, SLC20A1 DRD2 853/4885HTR2A 1444/4885KCNH2 898/4885
US-20090036470-A1 PALIPERIDONE DERIVATIVES NPY1R, NPY4R, GLP1R DRD2 440/4885HTR2A 501/4885KCNH2 1392/4885
US-20170129968-A1 ANTIBODIES TO PALIPERIDONE HAPTENS AND USE THEREOF LY96, OPRL1, HTR3C DRD2 380/4885HTR2A 33/4885KCNH2 2524/4885

“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.