SCHEMBL8216113

SCHEMBL8216113

NC[C@H]1CCc2cc(Cl)cc(-c3cc(Cl)ccc3Cl)c2O1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AQP1 P29972 3/20 0.50
HTR2A P28223 3/20 0.36
HTR2C P28335 3/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SLC6A4 P31645 2/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A3 Q01959 1/20 0.35
HTR2B P41595 3/20 0.34
EZH2 Q15910 1/20 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
TYMS P04818 2/20 0.32
PDE4D Q08499 1/20 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 0.91 AQP1 (0.61) AQP1HTR2AHTR2CNFKB1NFKB2
SCHEMBL14112727 0.90 AQP1 (0.64) AQP1HTR2AHTR2CNFKB1NFKB2
SCHEMBL8203894 0.90 AQP1 (0.64) AQP1HTR2AHTR2CNFKB1NFKB2
Hydrochloric Acid SCHEMBL4621220 0.89 AQP1 (0.63) AQP1HTR2AHTR2CNFKB1NFKB2
Hydrochloric Acid SCHEMBL4620592 0.89 AQP1 (0.63) AQP1HTR2AHTR2CNFKB1NFKB2
SCHEMBL8213688 0.88 AQP1 (0.46) AQP1HTR2AHTR2CNFKB1NFKB2
SCHEMBL8211890 0.87 AQP1 (0.48) AQP1HTR2AHTR2CNFKB1NFKB2
SCHEMBL8211425 0.87 AQP1 (0.46) AQP1HTR2AHTR2CNFKB1NFKB2
SCHEMBL14112673 0.87 AQP1 (0.46) AQP1HTR2AHTR2CNFKB1NFKB2
SCHEMBL4226753 0.86 AQP1 (0.65) AQP1HTR2AHTR2CSLC6A4SLC6A2

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 4 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
WO-2007123941-A2 CHROMANE AND CHROMENE DERIVATIVES AND USES THEREOF WYETH (US) 2007-11-01 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 (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 2983/4885HTR2A 25/4885HTR2C 3/4885

“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.