SCHEMBL8211890

SCHEMBL8211890

Cc1cc(Cl)ccc1-c1cc(Cl)cc2c1O[C@@H](CN)CC2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AQP1 P29972 2/20 0.48
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
TYMS P04818 3/20 0.33
NOTUM Q6P988 2/20 0.33
PRKAB2 O43741 2/20 0.32
PRKAG1 P54619 2/20 0.32
PRKAA2 P54646 2/20 0.32
PRKAA1 Q13131 2/20 0.32
PRKAG3 Q9UGI9 2/20 0.32
PRKAG2 Q9UGJ0 2/20 0.32
PRKAB1 Q9Y478 2/20 0.32
EZH2 Q15910 1/20 0.32
HRH4 Q9H3N8 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
PDE4A P27815 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
SCHEMBL8211565 0.89 AQP1 (0.61) AQP1NFKB1NFKB2RELASLC6A2
SCHEMBL8211903 0.88 AQP1 (0.40) AQP1NFKB1NFKB2RELASLC6A2
SCHEMBL8216113 0.87 AQP1 (0.50) AQP1NFKB1NFKB2RELASLC6A2
SCHEMBL8211887 0.85 AQP1 (0.39) AQP1NFKB1NFKB2RELASLC6A2
SCHEMBL8216117 0.84 AQP1 (0.43) AQP1SLC6A2SLC6A4SLC6A3PRKAB2
SCHEMBL8211567 0.82 AQP1 (0.48) AQP1NFKB1NFKB2RELASLC6A2
Hydrochloric Acid SCHEMBL4621306 0.81 AQP1 (0.47) AQP1NFKB1NFKB2RELASLC6A2
SCHEMBL8213688 0.81 AQP1 (0.46) AQP1NFKB1NFKB2RELAPRKAB2
SCHEMBL8203879 0.79 AQP1 (0.45) AQP1NFKB1NFKB2RELAPRKAB2
SCHEMBL8216106 0.79 PRKAB2 (0.45) AQP1NFKB1NFKB2RELASLC6A2

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 2983/4885NFKB1 4678/4885NFKB2 4090/4885

“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.