SCHEMBL8202471

SCHEMBL8202471

COc1cc(C(=O)N2CCC3(CC2)C(=O)N(c2cccc(F)c2)C3c2ccc(Cl)cc2)cc(OC)c1OC

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 16/20 0.64
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
LMNA P02545 1/20 0.44
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 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
SCHEMBL8201808 0.92 CACNA1H (0.54) CACNA1HCYP3A4CYP2C9CYP2C19LMNA
SCHEMBL8202771 0.91 CACNA1H (0.52) CACNA1HCYP3A4CYP2C9CYP2C19LMNA
SCHEMBL8202768 0.90 CACNA1H (0.52) CACNA1HCYP3A4CYP2C9CYP2C19LMNA
SCHEMBL8210221 0.86 ALDH1A1 (0.53) CACNA1HCYP3A4CYP2C9CYP2C19LMNA
SCHEMBL8212363 0.86 CACNA1H (0.47) CACNA1HCYP3A4CYP2C9CYP2C19LMNA
SCHEMBL8214603 0.85 CYP3A4 (0.48) CACNA1HCYP3A4CYP2C9CYP2C19LMNA
SCHEMBL8210233 0.85 CACNA1H (0.47) CACNA1HCYP3A4CYP2C9CYP2C19LMNA
SCHEMBL12877005 0.78 CACNA1H (1.00) CACNA1H
SCHEMBL8213097 0.78 CACNA1H (1.00) CACNA1H
SCHEMBL8202226 0.77 CACNA1H (1.00) CACNA1H

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 CACNA1H 2929/4885CYP3A4 343/4885CYP2C9 558/4885

“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.