SCHEMBL13596404

SCHEMBL13596404

CC(C)N1CC2(CCN(C(=O)Nc3cccc(N)c3)CC2)C1c1ccc(Cl)cc1

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 17/20 0.74
LMNA P02545 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
RECQL P46063 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 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
SCHEMBL13595868 0.92 CACNA1H (0.78) CACNA1HMEN1ALDH1A1RECQLKMT2A
SCHEMBL13595933 0.90 CACNA1H (0.75) CACNA1HALDH1A1
SCHEMBL13595939 0.89 CACNA1H (0.74) CACNA1HLMNAMEN1KMT2A
SCHEMBL13595923 0.89 CACNA1H (0.74) CACNA1HLMNA
SCHEMBL13595884 0.89 CACNA1H (0.84) CACNA1HALDH1A1
SCHEMBL13596382 0.89 CACNA1H (0.76) CACNA1H
SCHEMBL13595926 0.87 CACNA1H (0.71) CACNA1HLMNAALDH1A1
SCHEMBL13595875 0.87 CACNA1H (0.83) CACNA1H
SCHEMBL13595879 0.86 CACNA1H (0.70) CACNA1HALDH1A1
SCHEMBL13595909 0.86 CACNA1H (0.73) CACNA1HLMNA

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 2 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-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 1192/4885LMNA 4180/4885MEN1 3422/4885

“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.