SCHEMBL8224684

SCHEMBL8224684

CC[C@H](C)[C@H](NC(=O)N1CCC2(CC1)CN(C(C)C)C2c1ccc(F)cc1)C(=O)OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 18/20 1.00
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NOS3 P29474 1/20 0.44
NOS1 P29475 1/20 0.44
NOS2 P35228 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
SCHEMBL8223645 0.92 CACNA1H (0.85) CACNA1HLMNASMN1; SMN2
SCHEMBL13595938 0.91 CACNA1H (0.84) CACNA1HLMNASMN1; SMN2
SCHEMBL3989647 0.91 CACNA1H (1.00) CACNA1HLMNASMN1; SMN2NOS3NOS1
SCHEMBL13595985 0.91 CACNA1H (1.00) CACNA1HLMNASMN1; SMN2NOS3NOS1
SCHEMBL13595860 0.91 CACNA1H (0.83) CACNA1HLMNASMN1; SMN2
SCHEMBL8223718 0.91 CACNA1H (0.83) CACNA1HLMNASMN1; SMN2
SCHEMBL8225775 0.90 CACNA1H (0.83) CACNA1HLMNASMN1; SMN2NOS3NOS1
SCHEMBL13595891 0.89 CACNA1H (0.81) CACNA1HLMNASMN1; SMN2
SCHEMBL8219197 0.88 CACNA1H (0.78) CACNA1H
SCHEMBL8229812 0.88 CACNA1H (0.78) CACNA1HLMNASMN1; SMN2NOS3NOS1

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 1192/4885LMNA 4180/4885SMN1; SMN2 2012/4885

“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.