SCHEMBL8415546

SCHEMBL8415546

N#Cc1cc(F)ccc1-c1cc(F)cc2c1O[C@@H](CN)CO2

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AQP1 P29972 1/20 0.40
CA2 P00918 1/20 0.37
AURKA O14965 2/20 0.33
GSK3A P49840 2/20 0.33
GSK3B P49841 2/20 0.33
CSNK1E P49674 1/20 0.33
KLKB1 P03952 1/20 0.33
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
NOTUM Q6P988 1/20 0.30
FFAR1 O14842 1/20 0.30
CYP19A1 P11511 1/20 0.30

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
SCHEMBL8228752 0.88 PRKAB2 (0.35) AQP1CA2AURKAGSK3AGSK3B
SCHEMBL8221231 0.81 AQP1 (0.41) AQP1CA2CYP19A1
SCHEMBL8220457 0.80 AQP1 (0.42) AQP1CA2CYP19A1
SCHEMBL8220449 0.80 SLC6A4 (0.43) AQP1CA2
SCHEMBL8202938 0.80 AQP1 (0.47) AQP1KLKB1PRMT5WDR77
SCHEMBL8225835 0.79 AQP1 (0.43) AQP1CA2FFAR1CYP19A1
SCHEMBL3207048 0.79 AQP1 (0.39) AQP1GSK3AGSK3BKLKB1PRMT5
SCHEMBL3207355 0.79 AQP1 (0.39) AQP1GSK3AGSK3BKLKB1PRMT5
SCHEMBL3216292 0.79 AQP1 (0.39) AQP1GSK3AGSK3BKLKB1PRMT5
SCHEMBL8220451 0.78 SLC6A2 (0.46) AQP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 4153/4885AURKA 4854/4885
US-20070255065-A1 Benzodioxane and benzodioxolane derivatives and uses thereof TBXA2R, HTR2C, NPY1R AQP1 2199/4885CA2 2702/4885AURKA 4755/4885

“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.