SCHEMBL246663

SCHEMBL246663

CC(C)OC(=O)Cc1cccc2c1/C(=C\CCN(C)C)c1ccccc1CO2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 4/20 0.56
KCNH2 Q12809 2/20 0.56
HTR2B P41595 2/20 0.56
ALDH1A1 P00352 2/20 0.56
LMNA P02545 2/20 0.56
SLC22A1 O15245 1/20 0.56
CHRM2 P08172 1/20 0.56
CHRM4 P08173 1/20 0.56
HTR1A P08908 1/20 0.56
CHRM5 P08912 1/20 0.56
ADRA2A P08913 1/20 0.56
CHRM1 P11229 1/20 0.56
DRD2 P14416 1/20 0.56
ADRA2B P18089 1/20 0.56
ADRA2C P18825 1/20 0.56
CHRM3 P20309 1/20 0.56
DRD1 P21728 1/20 0.56
DRD4 P21917 1/20 0.56
DRD5 P21918 1/20 0.56
SLC6A2 P23975 1/20 0.56

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
SCHEMBL245231 0.88 HRH1 (0.57) HRH1KCNH2HTR2BALDH1A1LMNA
SCHEMBL245516 0.85 HRH1 (0.55) HRH1KCNH2HTR2BALDH1A1LMNA
SCHEMBL246662 0.81 HRH1 (0.76) HRH1KCNH2HTR2BALDH1A1LMNA
SCHEMBL246664 0.81 HRH1 (0.76) HRH1KCNH2HTR2BALDH1A1LMNA
SCHEMBL246198 0.80 ALDH1A1 (0.45) ALDH1A1TSHRKMT2AKDM4E
Doxepin SCHEMBL28075931 0.74 HTR2B (0.95) HRH1KCNH2HTR2BALDH1A1LMNA
Cidoxepin SCHEMBL29493441 0.74 HTR2B (1.00) HRH1KCNH2HTR2BALDH1A1LMNA
Cidoxepin SCHEMBL684837 0.74 HTR2B (1.00) HRH1KCNH2HTR2BALDH1A1LMNA
Doxepin SCHEMBL28054 0.74 HTR2B (1.00) HRH1KCNH2HTR2BALDH1A1LMNA
Doxepin SCHEMBL31349647 0.74 HTR2B (1.00) HRH1KCNH2HTR2BALDH1A1LMNA

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
US-9000195-B2 Process for obtaining olopatadine and intermediates CRYSTAL PHARMA, S.A.U. (ES) 2015-04-07 US claimed
EP-2666770-A1 Process for obtaining olopatadine and intermediates Crystal Pharma S.A.U (ES) 2013-11-27 EP claimed
EP-2145882-B1 Process for obtaining olopatadine and intermediates CRYSTAL PHARMA SAU (ES) 2013-08-21 EP claimed
US-20120004426-A1 PROCESS FOR OBTAINING OLOPATADINE AND INTERMEDIATES RAGACTIVES, S.L.U. (ES) 2012-01-05 US claimed
EP-2145882-A1 Process for obtaining olopatadine and intermediates Ragactives, S.L.U. (ES) 2010-01-20 EP claimed
US-9000195-B2 Process for obtaining olopatadine and intermediates CRYSTAL PHARMA, S.A.U. (ES) 2015-04-07 US disclosed
EP-2666770-A1 Process for obtaining olopatadine and intermediates Crystal Pharma S.A.U (ES) 2013-11-27 EP disclosed
EP-2145882-B1 Process for obtaining olopatadine and intermediates CRYSTAL PHARMA SAU (ES) 2013-08-21 EP disclosed
US-20120004426-A1 PROCESS FOR OBTAINING OLOPATADINE AND INTERMEDIATES RAGACTIVES, S.L.U. (ES) 2012-01-05 US disclosed
EP-2145882-A1 Process for obtaining olopatadine and intermediates Ragactives, S.L.U. (ES) 2010-01-20 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 (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-20120004426-A1 PROCESS FOR OBTAINING OLOPATADINE AND INTERMEDIATES OXER1, AOC3, OPRD1 HRH1 28/4885KCNH2 2550/4885HTR2B 57/4885

“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.