SCHEMBL4962999

SCHEMBL4962999

CNC1COc2cc(Cl)cc(-c3ccccc3C)c2O1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
GPBAR1 Q8TDU6 2/20 0.32
CYP19A1 P11511 1/20 0.32
RAB9A P51151 2/20 0.32
HTT P42858 1/20 0.31
MAP3K14 Q99558 1/20 0.30
CNR1 P21554 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CASP3 P42574 1/20 0.30
SENP8 Q96LD8 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
SENP6 Q9GZR1 1/20 0.30
LMNA P02545 1/20 0.30
POLB P06746 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 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
SCHEMBL4963002 1.00 NPC1 (0.37) NPC1L3MBTL1HTR2AHTR2CGPBAR1
SCHEMBL4962960 0.89 NPC1 (0.33) NPC1L3MBTL1HTR2AHTR2CCYP19A1
SCHEMBL4962953 0.89 NPC1 (0.33) NPC1L3MBTL1HTR2AHTR2CCYP19A1
SCHEMBL4964073 0.89 NPC1 (0.37) NPC1L3MBTL1RAB9AHTTMAP3K14
SCHEMBL4960249 0.88 NPC1 (0.39) NPC1L3MBTL1CYP19A1HTTLMNA
SCHEMBL4960250 0.88 NPC1 (0.39) NPC1L3MBTL1CYP19A1HTTLMNA
SCHEMBL4960027 0.86 HTR2A (0.33) NPC1L3MBTL1HTR2AHTR2CCYP19A1
SCHEMBL4960025 0.86 HTR2A (0.33) NPC1L3MBTL1HTR2AHTR2CCYP19A1
SCHEMBL4968840 0.84 HTR7 (0.46) HTR2AHTR2CCYP19A1HTTALDH1A1
SCHEMBL4968845 0.84 HTR7 (0.46) HTR2AHTR2CCYP19A1HTTALDH1A1

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 3726/4885HTR2A 7/4885

“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.