SCHEMBL8202849

SCHEMBL8202849

COC(=O)c1ccc(N2C(=O)C3(CCN(C(=O)OC(C)(C)C)CC3)C2c2ccc(Cl)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 11/20 0.49
TP53 P04637 1/20 0.49
MAPT P10636 1/20 0.49
THRB P10828 1/20 0.49
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TRPV1 Q8NER1 5/20 0.44

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
SCHEMBL8205482 0.87 CACNA1H (0.55) CACNA1HSMN1; SMN2TRPV1
SCHEMBL14263432 0.87 CACNA1H (0.54) CACNA1HMEN1KMT2ATRPV1
SCHEMBL8217839 0.86 CACNA1H (0.49) CACNA1HMEN1KMT2ATRPV1
SCHEMBL8209853 0.86 TRPV1 (0.55) CACNA1HMAPTHTTSMN1; SMN2NPSR1
SCHEMBL8210218 0.86 CACNA1H (0.46) CACNA1HHTTSMN1; SMN2NPSR1MEN1
SCHEMBL8210646 0.85 GPR119 (0.52) CACNA1H
SCHEMBL12876068 0.84 ALDH1A1 (0.54) CACNA1HMAPTMEN1KMT2ATRPV1
SCHEMBL8218916 0.83 CACNA1H (0.57) CACNA1HTRPV1
SCHEMBL8212128 0.83 STS (0.46) CACNA1HTRPV1
SCHEMBL8202437 0.83 CACNA1H (0.45) CACNA1HTP53MAPTHTTSMN1; SMN2

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 2929/4885TP53 4628/4885MAPT 4233/4885

“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.