SCHEMBL8210399

SCHEMBL8210399

O=C(NC1CCCC1)N1CCC2(CC1)C(=O)N(c1ccc(F)cc1)C2c1ccc(O)cc1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 7/20 0.59
CACNA1H O95180 11/20 0.48
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
PAX8 Q06710 1/20 0.42

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
SCHEMBL14280465 0.89 TRPV1 (0.55) TRPV1CACNA1HALDH1A1POLB
SCHEMBL14280321 0.88 TRPV1 (0.54) TRPV1CACNA1HALDH1A1POLBPAX8
SCHEMBL14280511 0.86 TRPV1 (0.52) TRPV1CACNA1HALDH1A1POLBPAX8
SCHEMBL8202542 0.85 CACNA1H (0.59) TRPV1CACNA1H
SCHEMBL8201876 0.84 CACNA1H (0.51) TRPV1CACNA1H
SCHEMBL8202713 0.83 TRPV1 (0.81) TRPV1CACNA1HPOLB
SCHEMBL8210157 0.83 TRPV1 (0.79) TRPV1CACNA1HPOLB
SCHEMBL8210895 0.82 CACNA1H (0.68) TRPV1CACNA1H
SCHEMBL8210396 0.82 TRPV1 (0.66) TRPV1CACNA1H
SCHEMBL8209203 0.82 CACNA1H (0.47) TRPV1CACNA1H

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 TRPV1 771/4885CACNA1H 2929/4885ALDH1A1 741/4885

“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.