SCHEMBL7685745

SCHEMBL7685745

OC[C@H]1COc2ccc3c(c2O1)OCO3

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.39
AOC3 Q16853 2/20 0.37
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
PRKAB2 O43741 2/20 0.33
PRKAG1 P54619 2/20 0.33
PRKAA2 P54646 2/20 0.33
PRKAA1 Q13131 2/20 0.33
PRKAG3 Q9UGI9 2/20 0.33
PRKAG2 Q9UGJ0 2/20 0.33
PRKAB1 Q9Y478 2/20 0.33
CA2 P00918 1/20 0.33
HTT P42858 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
DRD1 P21728 1/20 0.33
TBXA2R P21731 1/20 0.33
SLC6A2 P23975 1/20 0.33
ADRA1A P35348 1/20 0.33

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
SCHEMBL6978317 0.80 L3MBTL1 (0.35) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL1043746 0.80 L3MBTL1 (0.35) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL10853195 0.77 CA2 (0.40) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL7466691 0.75 HTR1A (0.48) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL7466700 0.75 HTR1A (0.48) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL6981984 0.75 CA2 (0.41) CA2HTTHTR1AADRA2ADRD1
SCHEMBL6985807 0.75 ADRA1A (0.49) CA2HTTHTR1AADRA2ADRD1
SCHEMBL6985813 0.75 ADRA1A (0.49) CA2HTTHTR1AADRA2ADRD1
SCHEMBL6981978 0.75 CA2 (0.41) CA2HTTHTR1AADRA2ADRD1
SCHEMBL6974656 0.75 ADRA1A (0.47) CA2HTTHTR1AADRA2ADRD1

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-6353002-B2 DIOXINOINDOLE AND THIENOBENZODIOXIN COMPOUNDS WHICH ARE HT3 RECEPTOR ANTAGONISTS AND ARE USED TO TREAT CENTRAL NERVOUS SYSTEM DISORDERS KNOLL AKTIENGESELLSCHAFT (DE) 2002-03-05 US disclosed
US-20010008903-A1 Therapeutic agents BIRCH ALAN MARTIN (GB) 2001-07-19 US disclosed
US-6201004-B1 CENTRAL NERVOUS SYSTEM, PSYCHOLOGICAL, EATING, CARDIOVASCULAR, BRAIN, AND GASTROINTESTINAL DISORDERS KNOLL AKTIENGESELLSCHAFT (DE) 2001-03-13 US disclosed
EP-0966470-A1 DIOXINO DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS KNOLL AKTIENGESELLSCHAFT (DE) 1999-12-29 EP disclosed
WO-1998040386-A1 DIOXINO DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS KNOLL AKTIENGESELLSCHAFT (DE) 1998-09-17 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-20010008903-A1 Therapeutic agents GPR119, SNCA, HTR2B ACHE 289/4885AOC3 1931/4885ADRB2 96/4885

“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.