SCHEMBL4964073

SCHEMBL4964073

CN[C@@H]1COc2cc(Cl)cc(-c3c(C)cccc3C)c2O1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CA2 P00918 3/20 0.34
TAAR1 Q96RJ0 1/20 0.33
HTR7 P34969 1/20 0.33
AQP1 P29972 1/20 0.33
CA1 P00915 1/20 0.33
RAB9A P51151 1/20 0.32
HTT P42858 2/20 0.31
MAP3K14 Q99558 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 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
SCHEMBL4963002 0.89 NPC1 (0.37) NPC1L3MBTL1RAB9AHTTMAP3K14
SCHEMBL4962999 0.89 NPC1 (0.37) NPC1L3MBTL1RAB9AHTTMAP3K14
SCHEMBL4960249 0.84 NPC1 (0.39) NPC1L3MBTL1CA2TAAR1AQP1
SCHEMBL4960250 0.84 NPC1 (0.39) NPC1L3MBTL1CA2TAAR1AQP1
SCHEMBL4962953 0.82 NPC1 (0.33) NPC1L3MBTL1AQP1HTTLMNA
SCHEMBL4962960 0.82 NPC1 (0.33) NPC1L3MBTL1AQP1HTTLMNA
SCHEMBL4964065 0.81 CA2 (0.40) NPC1L3MBTL1CA2HTR7AQP1
SCHEMBL4962751 0.81 CA2 (0.33) NPC1L3MBTL1CA2AQP1CA1
SCHEMBL4964058 0.81 CA2 (0.40) NPC1L3MBTL1CA2HTR7AQP1
SCHEMBL4960027 0.80 HTR2A (0.33) NPC1L3MBTL1HTT

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 NPC1 3515/4885L3MBTL1 3726/4885CA2 4153/4885

“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.