SCHEMBL1961482

SCHEMBL1961482

Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2OC(=O)CCCC(=O)O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.72
HTR2A P28223 9/20 0.72
KCNH2 Q12809 3/20 0.72
DRD3 P35462 3/20 0.72
ADRA2A P08913 2/20 0.72
ADRA2B P18089 2/20 0.72
ADRA2C P18825 2/20 0.72
DRD1 P21728 2/20 0.72
DRD4 P21917 2/20 0.72
DRD5 P21918 2/20 0.72
HTR1D P28221 2/20 0.72
HTR1B P28222 2/20 0.72
HTR2C P28335 2/20 0.72
HTR7 P34969 2/20 0.72
ADRA1A P35348 2/20 0.72
HRH1 P35367 2/20 0.72
SCN5A Q14524 2/20 0.72
KCND3 Q9UK17 1/20 0.72
ACHE P22303 3/20 0.63
SLC6A4 P31645 2/20 0.63

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
SCHEMBL6881873 0.99 DRD2 (0.72) DRD2HTR2AKCNH2DRD3ADRA2A
SCHEMBL6885578 0.98 DRD2 (0.71) DRD2HTR2AKCNH2DRD3ADRA2A
SCHEMBL6881948 0.98 DRD2 (0.71) DRD2HTR2AKCNH2DRD3ADRA2A
SCHEMBL1958487 0.96 HTR2A (0.73) DRD2HTR2AKCNH2DRD3ADRA2A
SCHEMBL24018542 0.93 DRD2 (0.71) DRD2HTR2AKCNH2DRD3ADRA2A
SCHEMBL22633920 0.93 DRD2 (0.71) DRD2HTR2AKCNH2DRD3ADRA2A
Paliperidone Palmitate SCHEMBL1871384 0.93 DRD2 (0.71) DRD2HTR2AKCNH2DRD3ADRA2A
SCHEMBL21295308 0.93 DRD2 (0.71) DRD2HTR2AKCNH2DRD3ADRA2A
SCHEMBL22633922 0.93 HTR2A (0.71) DRD2HTR2AKCNH2DRD3ADRA2A
SCHEMBL7343354 0.93 DRD2 (0.71) DRD2HTR2AKCNH2DRD3ADRA2A

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-2343296-A1 A process for the purification of paliperidone Chemo Ibérica, S.A. (ES) 2011-07-13 EP claimed
WO-2011067220-A1 A PROCESS FOR THE PURIFICATION OF PALIPERIDONE CHEMO IBÉRICA, S.A. (ES) 2011-06-09 WO claimed
US-20140296257-A1 High-Loading Water-Soluable Carrier-Linked Prodrugs ASCENDIS PHARMA A/S (DK) 2014-10-02 US disclosed
US-20140296257-A1 High-Loading Water-Soluable Carrier-Linked Prodrugs ASCENDIS PHARMA A/S (DK) 2014-10-02 US disclosed
US-20140243254-A1 Polymeric Hyperbranched Carrier-Linked Prodrugs ASCENDIS PHARMA A/S (DK) 2014-08-28 US disclosed
US-20140243254-A1 Polymeric Hyperbranched Carrier-Linked Prodrugs ASCENDIS PHARMA A/S (DK) 2014-08-28 US disclosed
EP-2343296-A1 A process for the purification of paliperidone Chemo Ibérica, S.A. (ES) 2011-07-13 EP disclosed
WO-2011067220-A1 A PROCESS FOR THE PURIFICATION OF PALIPERIDONE CHEMO IBÉRICA, S.A. (ES) 2011-06-09 WO disclosed
WO-2011042450-A1 CARRIER LINKED PALIPERIDONE PRODRUGS ASCENDIS PHARMA AS (DK) 2011-04-14 WO disclosed
WO-2011042453-A1 SUBCUTANEOUS PALIPERIDONE COMPOSITION ASCENDIS PHARMA AS (DK) 2011-04-14 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 (2 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-20140296257-A1 High-Loading Water-Soluable Carrier-Linked Prodrugs ABCB11, SLCO1B1, SLC7A1 DRD2 3450/4885HTR2A 2385/4885KCNH2 2960/4885
US-20140243254-A1 Polymeric Hyperbranched Carrier-Linked Prodrugs P4HA1, CYP8B1, PAH DRD2 2447/4885HTR2A 1564/4885KCNH2 3674/4885

“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.