Sugi Predict

Sugi Predict / Compounds / SCHEMBL8220394

SCHEMBL8220394

SCHEMBL8220394

Cc1cc(Cl)c(-c2cccc3c2O[C@@H](CN)CO3)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.44
▸ ADRA1D P25100 4/20 0.37
▸ ADRA1A P35348 4/20 0.37
▸ ADRA1B P35368 4/20 0.37
▸ AQP1 P29972 2/20 0.34
▸ HTT P42858 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ PRKAB2 O43741 2/20 0.34
▸ PRKAG1 P54619 2/20 0.34
▸ PRKAA2 P54646 2/20 0.34
▸ PRKAA1 Q13131 2/20 0.34
▸ PRKAG3 Q9UGI9 2/20 0.34
▸ PRKAG2 Q9UGJ0 2/20 0.34
▸ PRKAB1 Q9Y478 2/20 0.34
▸ CYP19A1 P11511 1/20 0.34
▸ SLC6A4 P31645 2/20 0.34
▸ FFAR1 O14842 1/20 0.33
▸ HTR7 P34969 1/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL8228420 0.91 CA2 (0.46) CA2ADRA1DADRA1AADRA1BAQP1
SCHEMBL8220872 0.90 CA2 (0.50) CA2ADRA1DADRA1AADRA1BAQP1
SCHEMBL8225826 0.90 CA2 (0.50) CA2ADRA1DADRA1AADRA1BAQP1
SCHEMBL4961501 0.90 CA2 (0.50) CA2ADRA1DADRA1AADRA1BAQP1
SCHEMBL4960253 0.88 CA2 (0.41) CA2ADRA1DADRA1AADRA1BPRKAB2
SCHEMBL8231332 0.88 CA2 (0.41) CA2ADRA1DADRA1AADRA1BPRKAB2
SCHEMBL8220833 0.88 CA2 (0.44) CA2ADRA1DADRA1AADRA1BAQP1
SCHEMBL8220733 0.87 ADRA1D (0.41) CA2ADRA1DADRA1AADRA1BPRKAB2
SCHEMBL8225707 0.84 CA2 (0.41) CA2ADRA1DADRA1AADRA1BAQP1
SCHEMBL8225972 0.84 CA2 (0.41) CA2ADRA1DADRA1AADRA1BAQP1

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
WO-2007123942-A2 BENZODIOXANE AND BENZODIOXOLANE DERIVATIVES AND USES THEREOF WYETH (US) 2007-11-01 — — WO disclosed
US-20070255065-A1 Benzodioxane and benzodioxolane derivatives and uses thereof WYETH (US) 2007-11-01 — — US disclosed
US-20070255065-A1 Benzodioxane and benzodioxolane derivatives and uses thereof WYETH (US) 2007-11-01 — — US disclosed
US-20060241172-A1 Benzodioxane and benzodioxolane derivatives and uses thereof WYETH (US) 2006-10-26 — — US disclosed
US-20060241172-A1 Benzodioxane and benzodioxolane derivatives and uses thereof WYETH (US) 2006-10-26 — — 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-20060241172-A1 Benzodioxane and benzodioxolane derivatives and uses thereof HTR2C, HTR1D, HTR1A CA2 4153/4885ADRA1D 21/4885ADRA1A 37/4885
US-20070255065-A1 Benzodioxane and benzodioxolane derivatives and uses thereof TBXA2R, HTR2C, NPY1R CA2 2702/4885ADRA1D 22/4885ADRA1A 41/4885

“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.