SCHEMBL4968845

SCHEMBL4968845

CN[C@@H]1COc2cc(Cl)cc(-c3ccccc3OC)c2O1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 8/20 0.46
HTT P42858 2/20 0.40
MAPT P10636 2/20 0.38
TSHR P16473 2/20 0.38
HTR1A P08908 3/20 0.38
HTR2C P28335 2/20 0.38
HTR1D P28221 2/20 0.38
HTR1B P28222 2/20 0.38
HTR2A P28223 2/20 0.38
HTR1E P28566 2/20 0.38
HTR2B P41595 2/20 0.38
HTR5A P47898 2/20 0.38
HTR6 P50406 2/20 0.38
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
DRD3 P35462 1/20 0.37
CYP19A1 P11511 1/20 0.37

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
SCHEMBL4968840 1.00 HTR7 (0.46) HTR7HTTMAPTTSHRHTR1A
SCHEMBL4961210 0.90 HTR7 (0.39) HTR7HTTMAPTTSHRHTR1A
SCHEMBL6107386 0.89 HTT (0.43) HTR7HTTMAPTTSHRHTR1A
SCHEMBL6107382 0.89 HTT (0.43) HTR7HTTMAPTTSHRHTR1A
SCHEMBL4962960 0.85 NPC1 (0.33) HTTMAPTTSHRHTR2CHTR2A
SCHEMBL4962953 0.85 NPC1 (0.33) HTTMAPTTSHRHTR2CHTR2A
SCHEMBL4962999 0.84 NPC1 (0.37) HTTHTR2CHTR2ACYP19A1ALDH1A1
SCHEMBL4963002 0.84 NPC1 (0.37) HTTHTR2CHTR2ACYP19A1ALDH1A1
SCHEMBL4960027 0.83 HTR2A (0.33) HTTHTR2CHTR2ACYP19A1
SCHEMBL4960025 0.83 HTR2A (0.33) HTTHTR2CHTR2ACYP19A1

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
EP-1871759-A1 BENZODIOXANE AND BENZODIOXOLANE DERIVATIVES AND USES THEREOF Wyeth a Corporation of the State of Delaware (US) 2008-01-02 EP disclosed
WO-2006116158-A1 BENZODIOXANE AND BENZODIOXOLANE DERIVATIVES AND USES THEREOF WYETH (US) 2006-11-02 WO disclosed
US-20060241172-A1 Benzodioxane and benzodioxolane derivatives and uses thereof WYETH (US) 2006-10-26 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-20060241172-A1 Benzodioxane and benzodioxolane derivatives and uses thereof HTR2C, HTR1D, HTR1A HTR7 34/4885HTT 2102/4885MAPT 3207/4885

“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.