SCHEMBL4962960

SCHEMBL4962960

CN[C@@H]1COc2cc(Cl)cc(-c3ccccc3Cl)c2O1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP19A1 P11511 1/20 0.33
HTT P42858 3/20 0.32
MAPT P10636 2/20 0.32
TSHR P16473 2/20 0.32
ALDH1A1 P00352 3/20 0.31
CYP2D6 P10635 2/20 0.31
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
MAOB P27338 1/20 0.31
ALOX15 P16050 2/20 0.31
USP2 O75604 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
RECQL P46063 1/20 0.31
HSD17B10 Q99714 1/20 0.31
HTR2A P28223 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
SCHEMBL4962953 1.00 NPC1 (0.33) NPC1L3MBTL1CYP19A1HTTMAPT
SCHEMBL4963002 0.89 NPC1 (0.37) NPC1L3MBTL1CYP19A1HTTALDH1A1
SCHEMBL4962999 0.89 NPC1 (0.37) NPC1L3MBTL1CYP19A1HTTALDH1A1
SCHEMBL4962751 0.88 CA2 (0.33) NPC1L3MBTL1CYP19A1HTTMAPT
SCHEMBL4960027 0.88 HTR2A (0.33) NPC1L3MBTL1CYP19A1HTTMAOB
SCHEMBL4960025 0.88 HTR2A (0.33) NPC1L3MBTL1CYP19A1HTTMAOB
SCHEMBL4961667 0.87 AQP1 (0.41) NPC1L3MBTL1CYP19A1HTTMAOB
SCHEMBL4968845 0.85 HTR7 (0.46) CYP19A1HTTMAPTTSHRALDH1A1
SCHEMBL4968840 0.85 HTR7 (0.46) CYP19A1HTTMAPTTSHRALDH1A1
SCHEMBL4959812 0.84 HSD11B1 (0.36) ALDH1A1CYP2D6ALOX15HSD17B10

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 3726/4885CYP19A1 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.