SCHEMBL8212491

SCHEMBL8212491

C[C@H](NC(=O)N1CCC2(CC1)C(=O)N(C)C2c1cccnc1)c1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 8/20 0.55
CYP3A4 P08684 2/20 0.45
TRPV1 Q8NER1 2/20 0.42
ROCK2 O75116 3/20 0.40
PRKG1 Q13976 3/20 0.40
S1PR2 O95136 1/20 0.39
KIT P10721 2/20 0.39
POLB P06746 1/20 0.39
CNR2 P34972 1/20 0.38

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
SCHEMBL12876620 0.92 CACNA1H (0.47) CACNA1HCYP3A4TRPV1ROCK2PRKG1
SCHEMBL12877049 0.89 CACNA1H (0.53) CACNA1HCYP3A4TRPV1ROCK2PRKG1
SCHEMBL8213093 0.89 CACNA1H (0.53) CACNA1HCYP3A4TRPV1ROCK2PRKG1
SCHEMBL12877046 0.87 CACNA1H (0.62) CACNA1HCYP3A4TRPV1
SCHEMBL12876968 0.84 CACNA1H (0.75) CACNA1HTRPV1
SCHEMBL12877006 0.84 CACNA1H (0.72) CACNA1HKIT
SCHEMBL12876956 0.84 CACNA1H (0.53) CACNA1HTRPV1KITCNR2
SCHEMBL8224856 0.81 CACNA1H (0.47) CACNA1HCYP3A4ROCK2PRKG1KIT
SCHEMBL8224566 0.81 CACNA1H (0.47) CACNA1HCYP3A4ROCK2PRKG1KIT
SCHEMBL8225683 0.80 CACNA1H (0.47) CACNA1HCYP3A4TRPV1KIT

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 343/4885TRPV1 771/4885

“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.