SCHEMBL8202575

SCHEMBL8202575

O=C(Nc1cccc(Cl)c1)N1CCC2(CC1)C(=O)N(C1CC1)C2c1ccc(Cl)cc1

nearest known ligand 0.76

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 13/20 0.76
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
ALDH1A1 P00352 1/20 0.52
RECQL P46063 1/20 0.52
CCR2 P41597 1/20 0.46
KCNH2 Q12809 1/20 0.46
MAPT P10636 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL8201888 0.92 CACNA1H (0.73) CACNA1HMEN1KMT2ANPSR1ALDH1A1
SCHEMBL8209885 0.92 CACNA1H (0.84) CACNA1HALDH1A1
SCHEMBL12876303 0.89 CACNA1H (0.70) CACNA1HALDH1A1CCR2
SCHEMBL8212189 0.86 CACNA1H (1.00) CACNA1H
SCHEMBL13595960 0.81 CACNA1H (0.75) CACNA1HMEN1KMT2ANPSR1ALDH1A1
SCHEMBL8202554 0.81 CACNA1H (0.85) CACNA1H
SCHEMBL8202785 0.79 TRPV1 (0.69) CACNA1HMEN1KMT2ANPSR1ALDH1A1
SCHEMBL8202012 0.77 CACNA1H (0.51) CACNA1HMEN1KMT2ANPSR1ALDH1A1
SCHEMBL8202686 0.77 CACNA1H (0.82) CACNA1HMAPT
SCHEMBL8201883 0.75 CACNA1H (0.81) 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 2929/4885MEN1 1858/4885KMT2A 3586/4885

“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.