SCHEMBL22689142

SCHEMBL22689142

CC(C)(C)C(=O)O[C@@H]1[C@@H](OC(=O)C(C)(C)C)[C@@H](OC(=N)C(Cl)(Cl)Cl)O[C@H](C(=O)OCc2ccccc2)[C@H]1OC(=O)C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
LGALS8 O00214 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
FABP7 O15540 1/20 0.33
FABP5 Q01469 1/20 0.33
PRKCA P17252 1/20 0.32
PRKCD Q05655 1/20 0.32
TSHR P16473 2/20 0.32
NT5E P21589 1/20 0.32
FKBP1A P62942 1/20 0.32
CTSL P07711 1/20 0.31
ELANE P08246 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
CYP2D6 P10635 1/20 0.31

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
SCHEMBL2028686 0.90 ALDH1A1 (0.40) ALDH1A1LGALS8FABP7FABP5TSHR
SCHEMBL24603586 0.90 ALDH1A1 (0.40) ALDH1A1LGALS8FABP7FABP5TSHR
SCHEMBL22689120 0.83 TSHR (0.32) TSHR
SCHEMBL10309796 0.80 ALDH1A1 (0.39) ALDH1A1LGALS8FABP7FABP5TSHR
SCHEMBL29551166 0.79 CA12 (0.36)
SCHEMBL2580404 0.78 NT5E (0.54) NT5E
SCHEMBL22778376 0.76 NT5E (0.39) LGALS8NT5E
SCHEMBL19018767 0.76 NT5E (0.39) LGALS8NT5E
SCHEMBL28656205 0.76 ALDH1A1 (0.35) ALDH1A1LGALS8FABP7FABP5TSHR
SCHEMBL22108020 0.75 LGALS8 (0.45) ALDH1A1LGALS8MAPTFABP7FABP5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12384765-B2 Catecholamine prodrugs for use in the treatment of Parkinson's Disease H. LUNDBECK A/S (DK) 2025-08-12 US disclosed
US-20220213071-A1 NEW CATECHOLAMINE PRODRUGS FOR USE IN THE TREATMENT OF PARKINSON'S DISEASE H. LUNDBECK A/S (DK) 2022-07-07 US disclosed
EP-3972970-A1 NEW CATECHOLAMINE PRODRUGS FOR USE IN THE TREATMENT OF PARKINSON'S DISEASE H. Lundbeck A/S (DK) 2022-03-30 EP disclosed
WO-2020234274-A1 NEW CATECHOLAMINE PRODRUGS FOR USE IN THE TREATMENT OF PARKINSON'S DISEASE H. LUNDBECK A/S (DK) 2020-11-26 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-20220213071-A1 NEW CATECHOLAMINE PRODRUGS FOR USE IN THE TREATMENT OF PARKINSON'S DISEASE COMT, SLC6A2, MAOB ALDH1A1 336/4885LGALS8 4626/4885MAPT 188/4885
US-12384765-B2 Catecholamine prodrugs for use in the treatment of Parkinson's Disease COMT, SLC6A2, MAOB ALDH1A1 252/4885LGALS8 4676/4885MAPT 224/4885

“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.