SCHEMBL8216112

SCHEMBL8216112

COc1cccc(-c2cc(Cl)cc3c2O[C@@H](CN)CC3)c1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 2/20 0.47
PRKAG1 P54619 2/20 0.47
PRKAA2 P54646 2/20 0.47
PRKAA1 Q13131 2/20 0.47
PRKAG3 Q9UGI9 2/20 0.47
PRKAG2 Q9UGJ0 2/20 0.47
PRKAB1 Q9Y478 2/20 0.47
AQP1 P29972 1/20 0.40
SLC6A2 P23975 5/20 0.34
SLC6A4 P31645 5/20 0.34
SLC6A3 Q01959 4/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ADRA1D P25100 2/20 0.33
ADRA1A P35348 2/20 0.33
ADRA1B P35368 2/20 0.33
DRD2 P14416 1/20 0.33
ADORA2A P29274 1/20 0.33
GAA P10253 1/20 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
SCHEMBL8216106 0.90 PRKAB2 (0.45) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4234389 0.90 PRKAB2 (0.55) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL8215700 0.87 PRKAB2 (0.53) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL8216117 0.84 AQP1 (0.43) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4230367 0.83 PRKAB2 (0.47) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL8213688 0.82 AQP1 (0.46) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4231572 0.81 PRKAB2 (0.55) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4961206 0.81 ADRA1D (0.43) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4961201 0.81 ADRA1D (0.43) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL8211903 0.81 AQP1 (0.40) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008052088-A1 CHROMANE DERIVATIVES, SYNTHESIS THEREOF, AND INTERMEDIATES THERETO WYETH (US) 2008-05-02 WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20080039639-A1 Chromane and chromene derivatives and uses thereof HTR1A, CHRM1, HTR2C PRKAB2 2951/4885PRKAG1 2476/4885PRKAA2 1905/4885

“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.