SCHEMBL4959812

SCHEMBL4959812

CN[C@@H]1COc2cc(Cl)cc(-c3ccccc3C(F)(F)F)c2O1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.36
CYP3A4 P08684 3/20 0.35
CYP1A2 P05177 2/20 0.35
ALDH1A1 P00352 2/20 0.33
CYP2C19 P33261 2/20 0.33
STK10 O94804 2/20 0.33
SLK Q9H2G2 2/20 0.33
CYP2D6 P10635 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
RIPK1 Q13546 1/20 0.32
FFAR1 O14842 1/20 0.32
TRPA1 O75762 1/20 0.31
TRPM8 Q7Z2W7 1/20 0.31
TRPV1 Q8NER1 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
SCHEMBL4959809 1.00 HSD11B1 (0.36) HSD11B1CYP3A4CYP1A2ALDH1A1CYP2C19
SCHEMBL6104357 0.87 HCRTR2 (0.33)
SCHEMBL4960025 0.85 HTR2A (0.33) RIPK1
SCHEMBL4960027 0.85 HTR2A (0.33) RIPK1
SCHEMBL4962953 0.84 NPC1 (0.33) ALDH1A1CYP2D6ALOX15HSD17B10
SCHEMBL4962960 0.84 NPC1 (0.33) ALDH1A1CYP2D6ALOX15HSD17B10
SCHEMBL4962999 0.83 NPC1 (0.37) CYP1A2ALDH1A1CYP2C19CYP2D6ALOX15
SCHEMBL4963002 0.83 NPC1 (0.37) CYP1A2ALDH1A1CYP2C19CYP2D6ALOX15
SCHEMBL4968840 0.81 HTR7 (0.46) ALDH1A1STK10SLK
SCHEMBL4968845 0.81 HTR7 (0.46) ALDH1A1STK10SLK

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 HSD11B1 638/4885CYP3A4 284/4885CYP1A2 99/4885

“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.