Sugi Predict

Sugi Predict / Compounds / SCHEMBL8212412

SCHEMBL8212412

SCHEMBL8212412

N#Cc1cccc(N2C(=O)C3(CCN(C(=O)Nc4cccc(C(F)(F)F)c4)CC3)C2c2ccccn2)c1

nearest known ligand 0.78

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CACNA1H O95180 10/20 0.78
▸ TRPV1 Q8NER1 5/20 0.52
▸ USP2 O75604 3/20 0.46
▸ CYP1A2 P05177 2/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ HIF1A Q16665 2/20 0.44
▸ TSHR P16473 1/20 0.44

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
SCHEMBL8210087 0.92 CACNA1H (0.91) CACNA1HUSP2CYP1A2CYP3A4CYP2D6
SCHEMBL12876844 0.92 CACNA1H (0.72) CACNA1HTRPV1USP2CYP1A2CYP3A4
SCHEMBL8209881 0.89 CACNA1H (0.84) CACNA1HTRPV1
SCHEMBL12876895 0.88 CACNA1H (1.00) CACNA1HTRPV1USP2CYP3A4
SCHEMBL12876914 0.85 CACNA1H (0.79) CACNA1HUSP2CYP1A2CYP3A4CYP2D6
SCHEMBL8209879 0.85 CACNA1H (0.87) CACNA1HTRPV1
SCHEMBL8210029 0.84 CACNA1H (0.84) CACNA1HUSP2CYP1A2CYP3A4CYP2D6
SCHEMBL8214790 0.84 CACNA1H (0.79) CACNA1HTRPV1USP2CYP1A2CYP3A4
SCHEMBL12876834 0.84 CACNA1H (0.78) CACNA1HTRPV1
SCHEMBL12876900 0.83 CACNA1H (0.84) CACNA1HUSP2CYP1A2CYP3A4CYP2D6

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 2929/4885TRPV1 771/4885USP2 2773/4885

“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.