SCHEMBL8224706

SCHEMBL8224706

CC(C)CCN1CC2(CCN(C(=O)NC34CC5CC(CC(C5)C3)C4)CC2)C1c1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 8/20 0.49
EPHX2 P34913 4/20 0.44
CNR2 P34972 1/20 0.40
LMNA P02545 3/20 0.40
HTT P42858 2/20 0.40
NPSR1 Q6W5P4 2/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
ALOX12 P18054 1/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 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
SCHEMBL8226312 0.91 CACNA1H (0.60) CACNA1HEPHX2CNR2LMNAHTT
SCHEMBL8218790 0.81 CACNA1H (0.73) CACNA1H
SCHEMBL8226405 0.81 CACNA1H (0.50) CACNA1HTSHRALOX12MEN1ALDH1A1
SCHEMBL8224611 0.80 CACNA1H (0.49) CACNA1HALDH1A1
SCHEMBL8224709 0.78 CACNA1H (0.53) CACNA1HALDH1A1
SCHEMBL8218795 0.77 CACNA1H (0.75) CACNA1HLMNA
SCHEMBL8226764 0.75 CACNA1H (0.53) CACNA1HEPHX2
SCHEMBL14208165 0.75 CACNA1H (0.44) CACNA1HALDH1A1
SCHEMBL13595865 0.74 CACNA1H (0.63) CACNA1HEPHX2CNR2LMNAHTT
SCHEMBL8219194 0.72 SIGMAR1 (0.41) CACNA1HGAAMEN1ALDH1A1KMT2A

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-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
WO-2008033456-A1 SPIRO-CONDENSED AZETIDINE DERIVATIVES USEFUL IN TREATING PAIN, DIABETES AND DISORDERS OF LIPID METABILISM 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-20080089858-A1 AZETIDINE DERIVATIVES USEFUL IN TREATING PAIN, DIABETES AND DISORDERS OF LIPID METABOLISM GPR119, PNLIP, CYP46A1 CACNA1H 1192/4885EPHX2 1129/4885CNR2 96/4885

“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.