Sugi Predict

Sugi Predict / Compounds / SCHEMBL4962901

SCHEMBL4962901

SCHEMBL4962901

CC(C)Oc1cc(F)ccc1-c1cccc2c1O[C@@H](CN)CO2

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ADRA1D P25100 7/20 0.37
▸ ADRA1A P35348 7/20 0.37
▸ ADRA1B P35368 7/20 0.37
▸ HTR1A P08908 8/20 0.37
▸ SLC6A4 P31645 4/20 0.37
▸ 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
▸ SLC6A2 P23975 2/20 0.33
▸ SLC6A3 Q01959 2/20 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
SCHEMBL8220862 0.88 AQP1 (0.38) ADRA1DADRA1AADRA1BHTR1ASLC6A4
SCHEMBL4962508 0.88 ADRA1D (0.45) ADRA1DADRA1AADRA1BHTR1ASLC6A4
SCHEMBL6106005 0.82 PRKAB2 (0.40) ADRA1DADRA1AADRA1BPRKAB2PRKAG1
SCHEMBL8223751 0.82 PRKAB2 (0.40) ADRA1DADRA1AADRA1BPRKAB2PRKAG1
SCHEMBL8221211 0.82 ADRA1D (0.45) ADRA1DADRA1AADRA1BHTR1ASLC6A4
SCHEMBL8208974 0.81 PRKAB2 (0.40) HTR1ASLC6A4PRKAB2PRKAG1PRKAA2
SCHEMBL14364270 0.80 PRKAB2 (0.40) ADRA1DADRA1AADRA1BHTR1ASLC6A4
SCHEMBL4960050 0.80 PRKAB2 (0.40) ADRA1DADRA1AADRA1BHTR1ASLC6A4
SCHEMBL4963419 0.79 ADRA1D (0.47) ADRA1DADRA1AADRA1BHTR1ASLC6A4
SCHEMBL8230077 0.79 ADRA1D (0.47) ADRA1DADRA1AADRA1BHTR1ASLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1871759-A1 BENZODIOXANE AND BENZODIOXOLANE DERIVATIVES AND USES THEREOF Wyeth a Corporation of the State of Delaware (US) 2008-01-02 — — EP 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
WO-2006116158-A1 BENZODIOXANE AND BENZODIOXOLANE DERIVATIVES AND USES THEREOF WYETH (US) 2006-11-02 — — WO 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
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 ADRA1D 21/4885ADRA1A 37/4885ADRA1B 42/4885
US-20070255065-A1 Benzodioxane and benzodioxolane derivatives and uses thereof TBXA2R, HTR2C, NPY1R ADRA1D 22/4885ADRA1A 41/4885ADRA1B 44/4885

“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.