SCHEMBL8214513

SCHEMBL8214513

O=C(Nc1cccc2ccccc12)N1CCC2(CC1)C(=O)N(c1ccc(F)cc1)C2c1ccc(F)cc1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.60
HSD17B10 Q99714 4/20 0.60
PKM P14618 1/20 0.60
CACNA1H O95180 8/20 0.54
TRPV1 Q8NER1 7/20 0.54
ALDH1A1 P00352 3/20 0.48
POLB P06746 1/20 0.48
TSHR P16473 1/20 0.47

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
SCHEMBL14263447 0.90 TRPV1 (0.63) KDM4EHSD17B10PKMCACNA1HTRPV1
SCHEMBL8210083 0.87 CACNA1H (0.61) CACNA1HTRPV1
SCHEMBL12876178 0.87 TRPV1 (0.56) CACNA1HTRPV1
SCHEMBL8210273 0.85 TRPV1 (0.54) CACNA1HTRPV1
SCHEMBL8209771 0.83 CACNA1H (0.57) CACNA1HTRPV1
SCHEMBL8209858 0.83 TRPV1 (0.53) KDM4ECACNA1HTRPV1
SCHEMBL8209856 0.82 TRPV1 (0.51) KDM4EHSD17B10PKMCACNA1HTRPV1
SCHEMBL12876180 0.82 CACNA1H (0.57) CACNA1HTRPV1
SCHEMBL8210396 0.81 TRPV1 (0.66) CACNA1HTRPV1
SCHEMBL8210225 0.80 TRPV1 (0.80) CACNA1HTRPV1

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 KDM4E 921/4885HSD17B10 45/4885PKM 3551/4885

“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.