SCHEMBL8220740

SCHEMBL8220740

Cc1cc(Cl)c(-c2cc(F)cc3c2O[C@@H](CN)CO3)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AQP1 P29972 3/20 0.42
CA2 P00918 3/20 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
SCHEMBL8225710 0.92 AQP1 (0.45) AQP1CA2
SCHEMBL8225938 0.91 AQP1 (0.50) AQP1CA2
SCHEMBL14201642 0.88 AQP1 (0.42) AQP1CA2
SCHEMBL8225828 0.88 AQP1 (0.51) AQP1CA2
SCHEMBL5361397 0.88 AQP1 (0.51) AQP1CA2
SCHEMBL5361392 0.88 AQP1 (0.51) AQP1CA2
SCHEMBL8225735 0.87 AQP1 (0.40) AQP1CA2
Hydrochloric Acid SCHEMBL5473282 0.87 AQP1 (0.50) AQP1CA2
Hydrochloric Acid SCHEMBL5472045 0.87 AQP1 (0.50) AQP1CA2
SCHEMBL8225705 0.86 AQP1 (0.41) AQP1CA2

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 AQP1 1697/4885CA2 4153/4885
US-20070255065-A1 Benzodioxane and benzodioxolane derivatives and uses thereof TBXA2R, HTR2C, NPY1R AQP1 2199/4885CA2 2702/4885

“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.