SCHEMBL245230

SCHEMBL245230

CCOC(=O)Cc1ccc2c(c1)/C(=C\CCN(C)C)c1ccccc1CO2

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 5/20 0.77
LMNA P02545 2/20 0.77
PARP1 P09874 1/20 0.72
KCNH2 Q12809 2/20 0.60
HTR2B P41595 2/20 0.60
SLC22A1 O15245 1/20 0.60
CHRM2 P08172 1/20 0.60
CHRM4 P08173 1/20 0.60
HTR1A P08908 1/20 0.60
CHRM5 P08912 1/20 0.60
ADRA2A P08913 1/20 0.60
CHRM1 P11229 1/20 0.60
DRD2 P14416 1/20 0.60
ADRA2B P18089 1/20 0.60
ADRA2C P18825 1/20 0.60
CHRM3 P20309 1/20 0.60
DRD1 P21728 1/20 0.60
DRD4 P21917 1/20 0.60
DRD5 P21918 1/20 0.60
SLC6A2 P23975 1/20 0.60

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
SCHEMBL245232 1.00 HRH1 (0.77) HRH1LMNAPARP1KCNH2HTR2B
SCHEMBL5060787 1.00 HRH1 (0.77) HRH1LMNAPARP1KCNH2HTR2B
SCHEMBL12796696 0.91 HRH1 (0.72) HRH1LMNAPARP1KCNH2
SCHEMBL245517 0.91 HRH1 (0.78) HRH1LMNAPARP1KCNH2
SCHEMBL245515 0.91 HRH1 (0.78) HRH1LMNAPARP1KCNH2
SCHEMBL2758646 0.90 HRH1 (0.80) HRH1LMNAPARP1KCNH2HTR2B
SCHEMBL5060399 0.90 HRH1 (0.80) HRH1LMNAPARP1KCNH2HTR2B
SCHEMBL4105413 0.90 HRH1 (0.80) HRH1LMNAPARP1KCNH2HTR2B
SCHEMBL6407455 0.88 HRH1 (0.83) HRH1LMNAPARP1KCNH2HTR2B
Oxalic Acid SCHEMBL4598518 0.88 HRH1 (0.79) HRH1LMNAPARP1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080139531-A1 USE OF CONNECTIVE TISSUE MAST CELL STABILIZERS TO FACILITATE OCULAR SURFACE RE-EPITHELIZATION AND WOUND REPAIR ALCON MANUFACTURING LTD. (US) 2008-06-12 US 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
US-20080139531-A1 USE OF CONNECTIVE TISSUE MAST CELL STABILIZERS TO FACILITATE OCULAR SURFACE RE-EPITHELIZATION AND WOUND REPAIR ALCON MANUFACTURING LTD. (US) 2008-06-12 US 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-20080139531-A1 USE OF CONNECTIVE TISSUE MAST CELL STABILIZERS TO FACILITATE OCULAR SURFACE RE-EPITHELIZATION AND WOUND REPAIR CMA1, LTK, KIT HRH1 35/4885LMNA 3550/4885PARP1 1279/4885
US-20120004426-A1 PROCESS FOR OBTAINING OLOPATADINE AND INTERMEDIATES OXER1, AOC3, OPRD1 HRH1 28/4885LMNA 4771/4885PARP1 2367/4885

“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.