SCHEMBL8203879

SCHEMBL8203879

NC[C@H]1CCc2cc(Cl)cc(-c3ccccc3F)c2O1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AQP1 P29972 3/20 0.45
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
HTR2C P28335 4/20 0.39
HTR2A P28223 2/20 0.39
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SSTR2 P30874 1/20 0.33
SSTR4 P31391 1/20 0.33
DPP4 P27487 1/20 0.32
SIRT2 Q8IXJ6 1/20 0.32
HTR1A P08908 4/20 0.31
HTR7 P34969 4/20 0.31
HTR2B P41595 2/20 0.31

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
SCHEMBL8213688 0.88 AQP1 (0.46) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4229016 0.88 AQP1 (0.58) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL8211903 0.86 AQP1 (0.40) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL8216108 0.85 AQP1 (0.40) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL8213252 0.83 PRKAB2 (0.49) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL8216106 0.82 PRKAB2 (0.45) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL27728290 0.81 AQP1 (0.48) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL8216113 0.81 AQP1 (0.50) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL8211887 0.81 AQP1 (0.39) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL14112691 0.81 AQP1 (0.59) AQP1PRKAB2PRKAG1PRKAA2PRKAA1

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 AQP1 2983/4885PRKAB2 2951/4885PRKAG1 2476/4885

“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.