SCHEMBL12876207

SCHEMBL12876207

CC[C@H](C)[C@H](NC(=O)N1CCC2(CC1)C(=O)N(C(C)C)C2c1ccc(Br)cc1)C(=O)OC

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 15/20 0.68
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 3/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
ABCG2 Q9UNQ0 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
SCHEMBL8210253 0.86 CACNA1H (0.51) CACNA1H
SCHEMBL13595860 0.83 CACNA1H (0.83) CACNA1HLMNASMN1; SMN2ALDH1A1POLB
SCHEMBL12876210 0.81 CACNA1H (1.00) CACNA1H
SCHEMBL8212814 0.79 CACNA1H (0.79) CACNA1H
SCHEMBL8223645 0.75 CACNA1H (0.85) CACNA1HLMNASMN1; SMN2ALDH1A1
SCHEMBL8202719 0.74 CACNA1H (0.63) CACNA1H
SCHEMBL8209964 0.74 CACNA1H (1.00) CACNA1H
SCHEMBL12876999 0.74 CACNA1H (0.70) CACNA1H
SCHEMBL12876707 0.74 CACNA1H (0.70) CACNA1H
SCHEMBL13595985 0.74 CACNA1H (1.00) CACNA1HLMNASMN1; SMN2

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 4 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

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 2929/4885LMNA 2096/4885SMN1; SMN2 808/4885

“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.