SCHEMBL8212825

SCHEMBL8212825

CC(C)N1C(=O)C2(CCN(C(=O)Nc3cccc(F)c3)CC2)C1c1ccc(Br)cc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 11/20 0.55
ALDH1A1 P00352 5/20 0.52
CYP2D6 P10635 3/20 0.52
CYP2C19 P33261 2/20 0.50
CYP1A2 P05177 1/20 0.50
USP2 O75604 3/20 0.48
CYP3A4 P08684 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
CYP2C9 P11712 1/20 0.47
NPC1 O15118 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
SCHEMBL8202719 0.92 CACNA1H (0.63) CACNA1H
SCHEMBL8202765 0.89 TRPV1 (0.46) CACNA1HSMN1; SMN2
SCHEMBL8202012 0.89 CACNA1H (0.51) CACNA1HALDH1A1
SCHEMBL12876238 0.87 CACNA1H (0.58) CACNA1HALDH1A1CYP2D6CYP2C19CYP1A2
SCHEMBL8226891 0.83 CACNA1H (0.73) CACNA1HALDH1A1CYP2D6CYP2C19CYP1A2
SCHEMBL14263435 0.80 CACNA1H (0.69) CACNA1H
SCHEMBL14263480 0.78 CACNA1H (0.61) CACNA1H
SCHEMBL14263481 0.77 CACNA1H (0.63) CACNA1H
SCHEMBL8202683 0.76 CACNA1H (0.72) CACNA1HALDH1A1USP2CYP3A4SMN1; SMN2
SCHEMBL8209885 0.75 CACNA1H (0.84) CACNA1HALDH1A1CYP2D6CYP2C19USP2

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 2929/4885ALDH1A1 741/4885CYP2D6 228/4885

“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.