SCHEMBL8224751

SCHEMBL8224751

CC(C)N1CC2(CCN(C(=O)Nc3cc(F)cc(F)c3)CC2)C1c1ccc(-c2ccccc2)cc1

nearest known ligand 0.84

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 14/20 0.84
ALDH1A1 P00352 1/20 0.41
CYP2D6 P10635 1/20 0.41
NPC1 O15118 1/20 0.41
TRPV1 Q8NER1 2/20 0.41
EPHX2 P34913 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL8224175 0.94 CACNA1H (0.86) CACNA1HALDH1A1CYP2D6NPC1TRPV1
SCHEMBL8218859 0.91 CACNA1H (1.00) CACNA1HALDH1A1CYP2D6
SCHEMBL13595932 0.91 CACNA1H (0.81) CACNA1HCYP2D6
SCHEMBL8218935 0.89 CACNA1H (0.89) CACNA1HALDH1A1CYP2D6
SCHEMBL13595977 0.89 CACNA1H (1.00) CACNA1H
SCHEMBL8226448 0.89 CACNA1H (0.87) CACNA1HALDH1A1CYP2D6NPC1
SCHEMBL13595940 0.86 CACNA1H (0.82) CACNA1HEPHX2
SCHEMBL8225905 0.85 CACNA1H (0.78) CACNA1HTRPV1POLB
SCHEMBL8217909 0.84 CACNA1H (0.69) CACNA1HALDH1A1CYP2D6NPC1TRPV1
SCHEMBL13595964 0.83 CACNA1H (0.75) CACNA1HCYP2D6

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 1192/4885ALDH1A1 692/4885CYP2D6 67/4885

“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.