SCHEMBL4960025

SCHEMBL4960025

CNC1COc2cc(Cl)cc(-c3ccccc3F)c2O1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
CYP19A1 P11511 2/20 0.33
NPC1 O15118 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAOB P27338 1/20 0.31
HTT P42858 1/20 0.30
RIPK1 Q13546 1/20 0.30

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
SCHEMBL4960027 1.00 HTR2A (0.33) HTR2AHTR2CCYP19A1NPC1L3MBTL1
SCHEMBL4962960 0.88 NPC1 (0.33) HTR2AHTR2CCYP19A1NPC1L3MBTL1
SCHEMBL4962953 0.88 NPC1 (0.33) HTR2AHTR2CCYP19A1NPC1L3MBTL1
SCHEMBL4963002 0.86 NPC1 (0.37) HTR2AHTR2CCYP19A1NPC1L3MBTL1
SCHEMBL4962999 0.86 NPC1 (0.37) HTR2AHTR2CCYP19A1NPC1L3MBTL1
SCHEMBL4959809 0.85 HSD11B1 (0.36) RIPK1
SCHEMBL4959812 0.85 HSD11B1 (0.36) RIPK1
SCHEMBL4968840 0.83 HTR7 (0.46) HTR2AHTR2CCYP19A1HTT
SCHEMBL4968845 0.83 HTR7 (0.46) HTR2AHTR2CCYP19A1HTT
SCHEMBL4962751 0.81 CA2 (0.33) CYP19A1NPC1L3MBTL1MAOBHTT

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 HTR2A 7/4885HTR2C 1/4885CYP19A1 326/4885

“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.