SCHEMBL8210971

SCHEMBL8210971

COc1ccc(-c2cccc3c2O[C@@H](CN)CC3)c(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP24A1 Q07973 5/20 0.43
CYP27A1 Q02318 3/20 0.43
PRKAB2 O43741 2/20 0.42
PRKAG1 P54619 2/20 0.42
PRKAA2 P54646 2/20 0.42
PRKAA1 Q13131 2/20 0.42
PRKAG3 Q9UGI9 2/20 0.42
PRKAG2 Q9UGJ0 2/20 0.42
PRKAB1 Q9Y478 2/20 0.42
CYP26A1 O43174 2/20 0.40
NFKB1 P19838 2/20 0.39
NFKB2 Q00653 2/20 0.39
RELA Q04206 2/20 0.39
ACHE P22303 1/20 0.37
HTR2A P28223 3/20 0.37
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34

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
SCHEMBL8211005 0.87 AQP1 (0.43) CYP24A1CYP27A1PRKAB2PRKAG1PRKAA2
SCHEMBL8203024 0.86 PRKAB2 (0.39) CYP24A1CYP27A1PRKAB2PRKAG1PRKAA2
SCHEMBL8211143 0.86 PRKAB2 (0.46) CYP24A1CYP27A1PRKAB2PRKAG1PRKAA2
SCHEMBL8212147 0.85 PRKAB2 (0.50) CYP24A1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL8210614 0.85 PRKAB2 (0.40) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL14112682 0.85 PRKAB2 (0.50) CYP24A1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL8210972 0.85 PRKAB2 (0.42) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL8203025 0.84 PRKAB2 (0.44) CYP24A1PRKAB2PRKAG1PRKAA2PRKAA1
Hydrochloric Acid SCHEMBL4621519 0.84 PRKAB2 (0.49) CYP24A1PRKAB2PRKAG1PRKAA2PRKAA1
Hydrochloric Acid SCHEMBL4621509 0.84 PRKAB2 (0.49) CYP24A1PRKAB2PRKAG1PRKAA2PRKAA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080182891-A1 CHROMANE AND CHROMENE DERIVATIVES AND USES THEREOF WYETH (US) 2008-07-31 US disclosed
US-20080182891-A1 CHROMANE AND CHROMENE DERIVATIVES AND USES THEREOF WYETH (US) 2008-07-31 US disclosed
WO-2008052088-A1 CHROMANE DERIVATIVES, SYNTHESIS THEREOF, AND INTERMEDIATES THERETO WYETH (US) 2008-05-02 WO disclosed
US-7365095-B2 Chromane and chromene derivatives and uses thereof WYETH (US) 2008-04-29 US disclosed
US-7365095-B2 Chromane and chromene derivatives and uses thereof WYETH (US) 2008-04-29 US disclosed
US-20080039639-A1 Chromane and chromene derivatives and uses thereof WYETH (US) 2008-02-14 US disclosed
US-20080039639-A1 Chromane and chromene derivatives and uses thereof WYETH (US) 2008-02-14 US disclosed
WO-2006116165-A1 CHROMANE AND CHROMENE DERIVATIVES AND USES THEREOF WYETH (US) 2006-11-02 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 (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-20080182891-A1 CHROMANE AND CHROMENE DERIVATIVES AND USES THEREOF HTR1A, HTR2C, CHRM1 CYP24A1 561/4885CYP27A1 948/4885PRKAB2 2692/4885
US-20080039639-A1 Chromane and chromene derivatives and uses thereof HTR1A, CHRM1, HTR2C CYP24A1 492/4885CYP27A1 845/4885PRKAB2 2951/4885

“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.