SCHEMBL4412432

SCHEMBL4412432

CC(C)(C)OC(=O)N1CCC2(CC1)CN(C1CC1)C2c1ccc(Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 5/20 0.57
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
STS P08842 3/20 0.46
HRH3 Q9Y5N1 5/20 0.44
USP2 O75604 1/20 0.42
HPGD P15428 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL3992245 0.83 CACNA1H (0.59) CACNA1HMEN1KMT2ASTS
SCHEMBL4412451 0.80 CACNA1H (0.59) CACNA1HMEN1KMT2ASTSHRH3
SCHEMBL4417927 0.80 GPR119 (0.48) CACNA1HMEN1KMT2ASTSUSP2
SCHEMBL8224867 0.79 MEN1 (0.49) MEN1KMT2ASTSUSP2HPGD
SCHEMBL8310737 0.77 NAMPT (0.60) MEN1KMT2ASTSUSP2HPGD
SCHEMBL8213940 0.76 CACNA1H (0.59) CACNA1HMEN1KMT2ASTSHRH3
SCHEMBL3989232 0.74 CACNA1H (0.46) CACNA1HMEN1KMT2ASTSNPSR1
SCHEMBL23411104 0.73 MEN1 (0.60) MEN1KMT2ASTSUSP2HPGD
SCHEMBL29892583 0.73 MEN1 (0.60) MEN1KMT2ASTSUSP2HPGD
SCHEMBL13595960 0.73 CACNA1H (0.75) CACNA1HMEN1KMT2ANPSR1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7638526-B2 Azetidine derivatives useful in treating pain, diabetes and disorders of lipid metabolism SCHERING CORPORATION (US) 2009-12-29 US disclosed
US-7638526-B2 Azetidine derivatives useful in treating pain, diabetes and disorders of lipid metabolism SCHERING CORPORATION (US) 2009-12-29 US disclosed
US-7638526-B2 Azetidine derivatives useful in treating pain, diabetes and disorders of lipid metabolism SCHERING CORPORATION (US) 2009-12-29 US disclosed
US-20080089858-A1 AZETIDINE DERIVATIVES USEFUL IN TREATING PAIN, DIABETES AND DISORDERS OF LIPID METABOLISM SCHERING CORPORATION 2008-04-17 US disclosed
US-20080089858-A1 AZETIDINE DERIVATIVES USEFUL IN TREATING PAIN, DIABETES AND DISORDERS OF LIPID METABOLISM SCHERING CORPORATION 2008-04-17 US disclosed
US-20080089858-A1 AZETIDINE DERIVATIVES USEFUL IN TREATING PAIN, DIABETES AND DISORDERS OF LIPID METABOLISM SCHERING CORPORATION 2008-04-17 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-20080089858-A1 AZETIDINE DERIVATIVES USEFUL IN TREATING PAIN, DIABETES AND DISORDERS OF LIPID METABOLISM GPR119, PNLIP, CYP46A1 CACNA1H 1192/4885MEN1 3422/4885KMT2A 3822/4885

“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.