SCHEMBL8221209

SCHEMBL8221209

C=CCN1CC2(CCN(C(=O)Nc3cc(F)cc(F)c3)CC2)C1c1ccc(F)cc1

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 13/20 0.70
S1PR2 O95136 4/20 0.45
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL8224560 0.85 CACNA1H (0.88) CACNA1HS1PR2
SCHEMBL13595937 0.84 CACNA1H (0.67) CACNA1HS1PR2
SCHEMBL8218790 0.83 CACNA1H (0.73) CACNA1HS1PR2
SCHEMBL13595944 0.82 CACNA1H (1.00) CACNA1HS1PR2KMT2AALDH1A1CYP2D6
SCHEMBL8218859 0.80 CACNA1H (1.00) CACNA1HS1PR2ALDH1A1CYP2D6
SCHEMBL4302495 0.75 LMNA (0.53) CACNA1HKMT2AALDH1A1
SCHEMBL8225771 0.75 CACNA1H (0.83) CACNA1HS1PR2ALDH1A1CYP2D6
SCHEMBL8218935 0.74 CACNA1H (0.89) CACNA1HS1PR2ALDH1A1CYP2D6
SCHEMBL13595943 0.74 CACNA1H (1.00) CACNA1HS1PR2
SCHEMBL8227789 0.73 CACNA1H (0.34) CACNA1HALDH1A1

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 1192/4885S1PR2 745/4885KMT2A 3822/4885

“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.