SCHEMBL8224017

SCHEMBL8224017

CC[C@H](C)[C@H](NC(=O)N1CCC2(CC1)CN(C1CC1)C2c1ccc(Cl)cc1)C(=O)OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 15/20 1.00
CCR1 P32246 3/20 0.44
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
NOS2 P35228 1/20 0.43
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 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
SCHEMBL3986542 1.00 CACNA1H (1.00) CACNA1HCCR1NOS3NOS1NOS2
SCHEMBL3989647 0.88 CACNA1H (1.00) CACNA1HNOS3NOS1NOS2LMNA
SCHEMBL13595985 0.88 CACNA1H (1.00) CACNA1HNOS3NOS1NOS2LMNA
SCHEMBL14263055 0.86 CACNA1H (0.79) CACNA1HCCR1NOS3NOS1NOS2
SCHEMBL8212814 0.83 CACNA1H (0.79) CACNA1H
SCHEMBL14263054 0.83 CACNA1H (0.83) CACNA1H
SCHEMBL12876210 0.80 CACNA1H (1.00) CACNA1HNOS3NOS1NOS2
SCHEMBL13595895 0.79 CACNA1H (0.84) CACNA1HCCR1
SCHEMBL8225775 0.79 CACNA1H (0.83) CACNA1HNOS3NOS1NOS2LMNA
SCHEMBL8223645 0.79 CACNA1H (0.85) CACNA1HLMNASMN1; SMN2

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 1192/4885CCR1 2597/4885NOS3 821/4885

“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.