SCHEMBL8210221

SCHEMBL8210221

COc1ccc(N2C(=O)C3(CCN(C(=O)c4cc(OC)c(OC)c(OC)c4)CC3)C2c2ccc(Cl)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
CACNA1H O95180 8/20 0.47
LMNA P02545 1/20 0.46
HSD11B1 P28845 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP1A2 P05177 1/20 0.43
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43
TUBB4B P68371 1/20 0.43
TUBB3 Q13509 1/20 0.43
TUBB2A Q13885 1/20 0.43

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
SCHEMBL8202771 0.92 CACNA1H (0.52) ALDH1A1CYP3A4CYP2C9CYP2C19CACNA1H
SCHEMBL8214603 0.92 CYP3A4 (0.48) ALDH1A1L3MBTL1CYP3A4CYP2C9CYP2C19
SCHEMBL8201808 0.92 CACNA1H (0.54) ALDH1A1L3MBTL1CYP3A4CYP2C9CYP2C19
SCHEMBL8210233 0.91 CACNA1H (0.47) ALDH1A1L3MBTL1CYP3A4CYP2C9CYP2C19
SCHEMBL8202471 0.86 CACNA1H (0.64) ALDH1A1CYP3A4CYP2C9CYP2C19CACNA1H
SCHEMBL8202768 0.84 CACNA1H (0.52) CYP3A4CYP2C9CYP2C19CACNA1HLMNA
SCHEMBL8212363 0.83 CACNA1H (0.47) ALDH1A1CYP3A4CYP2C9CYP2C19CACNA1H
SCHEMBL13596003 0.83 ALDH1A1 (0.53) ALDH1A1L3MBTL1CYP3A4CYP2C9CYP2C19
SCHEMBL14265960 0.78 ALDH1A1 (0.39) ALDH1A1L3MBTL1CYP2C19CACNA1HLMNA
SCHEMBL13596006 0.78 CACNA1H (0.50) ALDH1A1L3MBTL1CYP3A4CYP2C9CYP2C19

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7884080-B2 Administering an azetidinone compound for treating a disorder of lipid metabolism, pain, diabetes, a vascular condition, demyelination or nonalcoholic fatty liver disease; T-type calcium channel blocking agent, an antagonist of TRPV1, an agonist of TRPV1, of GPR119, antagonist of NPCL1 SCHERING PLOUGH CORPORATION (US) 2011-02-08 US disclosed
US-7884080-B2 Administering an azetidinone compound for treating a disorder of lipid metabolism, pain, diabetes, a vascular condition, demyelination or nonalcoholic fatty liver disease; T-type calcium channel blocking agent, an antagonist of TRPV1, an agonist of TRPV1, of GPR119, antagonist of NPCL1 SCHERING PLOUGH CORPORATION (US) 2011-02-08 US disclosed
US-20080076751-A1 Azetidinone Derivatives and Methods of Use Thereof MERCK SHARP & DOHME CORP. 2008-03-27 US disclosed
US-20080076751-A1 Azetidinone Derivatives and Methods of Use Thereof MERCK SHARP & DOHME CORP. 2008-03-27 US disclosed
WO-2008033464-A2 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF DISORDERS OF THE LIPID METABOLISM SCHERING CORPORATION (US) 2008-03-20 WO 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-20080076751-A1 Azetidinone Derivatives and Methods of Use Thereof LIPC, ZDHHC20, FABP1 ALDH1A1 741/4885L3MBTL1 4565/4885CYP3A4 343/4885

“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.