SCHEMBL8070959

SCHEMBL8070959

Cc1nc2c(OCc3ccccc3)cccn2c(=O)c1CCN1CCC(c2noc3cc(F)ccc23)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 12/20 0.59
HTR2A P28223 11/20 0.59
HTR1A P08908 5/20 0.59
KCNH2 Q12809 3/20 0.59
HRH3 Q9Y5N1 3/20 0.59
ADRA2A P08913 2/20 0.59
ADRA2B P18089 2/20 0.59
ADRA2C P18825 2/20 0.59
DRD1 P21728 2/20 0.59
DRD4 P21917 2/20 0.59
DRD5 P21918 2/20 0.59
HTR1D P28221 2/20 0.59
HTR1B P28222 2/20 0.59
HTR2C P28335 2/20 0.59
HTR7 P34969 2/20 0.59
ADRA1A P35348 2/20 0.59
HRH1 P35367 2/20 0.59
DRD3 P35462 2/20 0.59
SCN5A Q14524 2/20 0.59
HTR6 P50406 2/20 0.59

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
SCHEMBL8328526 0.90 DRD2 (0.66) DRD2HTR2AHTR1AKCNH2HRH3
SCHEMBL8324484 0.89 DRD2 (0.59) DRD2HTR2AHTR1AKCNH2HRH3
SCHEMBL8327642 0.89 DRD2 (0.59) DRD2HTR2AHTR1AKCNH2HRH3
SCHEMBL8319486 0.89 DRD2 (0.59) DRD2HTR2AHTR1AKCNH2HRH3
Ocaperidone SCHEMBL122321 0.87 DRD2 (0.66) DRD2HTR2AHTR1AKCNH2HRH3
Ocaperidone SCHEMBL29710913 0.87 DRD2 (0.66) DRD2HTR2AHTR1AKCNH2HRH3
SCHEMBL1430466 0.86 DRD2 (0.65) DRD2HTR2AHTR1AKCNH2HRH3
Hydrochloric Acid SCHEMBL7298070 0.85 DRD2 (0.62) DRD2HTR2AHTR1AKCNH2HRH3
SCHEMBL7299513 0.85 DRD2 (0.65) DRD2HTR2AHTR1AKCNH2HRH3
SCHEMBL7298917 0.85 DRD2 (0.63) DRD2HTR2AHTR1AKCNH2HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8242269-B2 Processes for the preparation of paliperidone and pharmaceutically acceptable salts thereof and intermediates for use in the processes CIPLA LIMITED (IN) 2012-08-14 US disclosed
US-8242269-B2 Processes for the preparation of paliperidone and pharmaceutically acceptable salts thereof and intermediates for use in the processes CIPLA LIMITED (IN) 2012-08-14 US disclosed
US-20100298565-A1 Processes for the Preparation of Paliperidone and Pharmaceutically Acceptable Salts Thereof and Intermediates for Use in the Processes CIPLA LIMITED (IN) 2010-11-25 US disclosed
US-20100298565-A1 Processes for the Preparation of Paliperidone and Pharmaceutically Acceptable Salts Thereof and Intermediates for Use in the Processes CIPLA LIMITED (IN) 2010-11-25 US disclosed
WO-2009047499-A2 PROCESSES FOR THE PREPARATION OF PALIPERIDONE AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AND INTERMEDIATES FOR USE IN THE PROCESSES CIPLA LIMITED (IN) 2009-04-16 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-20100298565-A1 Processes for the Preparation of Paliperidone and Pharmaceutically Acceptable Salts Thereof and Intermediates for Use in the Processes AVPR2, AVPR1B, AVPR1A DRD2 1043/4885HTR2A 1103/4885HTR1A 604/4885

“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.