Sugi Predict

Sugi Predict / Compounds / SCHEMBL12876303

SCHEMBL12876303

SCHEMBL12876303

N#Cc1cccc(NC(=O)N2CCC3(CC2)C(=O)N(C2CC2)C3c2ccc(Cl)cc2)c1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CACNA1H O95180 7/20 0.70
▸ HIF1A Q16665 1/20 0.52
▸ CYP2D6 P10635 2/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ ALDH1A1 P00352 6/20 0.49
▸ CYP1A2 P05177 4/20 0.48
▸ TSHR P16473 2/20 0.48
▸ MAPK1 P28482 3/20 0.48
▸ USP2 O75604 5/20 0.47
▸ CYP3A4 P08684 5/20 0.47
▸ CYP2C19 P33261 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ CCR2 P41597 1/20 0.47
▸ CYP2C9 P11712 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
SCHEMBL8202575 0.89 CACNA1H (0.76) CACNA1HALDH1A1CCR2
SCHEMBL8201888 0.87 CACNA1H (0.73) CACNA1HALDH1A1
SCHEMBL8209885 0.86 CACNA1H (0.84) CACNA1HCYP2D6ALDH1A1USP2CYP2C19
SCHEMBL13595949 0.83 CACNA1H (0.68) CACNA1HHIF1ACYP2D6HSD17B10ALDH1A1
SCHEMBL12876244 0.82 CACNA1H (1.00) CACNA1HUSP2CYP3A4SMN1; SMN2
SCHEMBL8212189 0.82 CACNA1H (1.00) CACNA1H
SCHEMBL13595879 0.77 CACNA1H (0.70) CACNA1HHIF1ACYP2D6HSD17B10ALDH1A1
SCHEMBL12876238 0.77 CACNA1H (0.58) CACNA1HHIF1ACYP2D6HSD17B10ALDH1A1
SCHEMBL5912449 0.76 HIF1A (0.63) CACNA1HHIF1ACYP2D6HSD17B10ALDH1A1
SCHEMBL8210092 0.74 CACNA1H (0.74) CACNA1HHIF1ACYP2D6HSD17B10CYP1A2

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 2929/4885HIF1A 1975/4885CYP2D6 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.