SCHEMBL8224856

SCHEMBL8224856

C[C@@H](NC(=O)N1CCC2(CC1)CN(c1ccc(F)cc1)C2c1cccnc1)c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 10/20 0.47
CYP3A4 P08684 3/20 0.44
DPP4 P27487 1/20 0.40
DPP8 Q6V1X1 1/20 0.40
DPP9 Q86TI2 1/20 0.40
KIT P10721 2/20 0.38
POLB P06746 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
MAPK1 P28482 1/20 0.38
ROCK2 O75116 1/20 0.38
PRKG1 Q13976 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
SCHEMBL8224566 1.00 CACNA1H (0.47) CACNA1HCYP3A4DPP4DPP8DPP9
SCHEMBL8225683 0.96 CACNA1H (0.47) CACNA1HCYP3A4DPP4DPP8DPP9
SCHEMBL13596148 0.91 CACNA1H (0.54) CACNA1HCYP3A4KIT
SCHEMBL13596144 0.91 CACNA1H (0.54) CACNA1HCYP3A4KIT
SCHEMBL8212491 0.81 CACNA1H (0.55) CACNA1HCYP3A4KITPOLBROCK2
SCHEMBL12877046 0.79 CACNA1H (0.62) CACNA1HCYP3A4
SCHEMBL12877049 0.79 CACNA1H (0.53) CACNA1HCYP3A4DPP4DPP8DPP9
SCHEMBL8213093 0.79 CACNA1H (0.53) CACNA1HCYP3A4DPP4DPP8DPP9
SCHEMBL12876968 0.77 CACNA1H (0.75) CACNA1H
SCHEMBL13595972 0.76 CACNA1H (0.67) CACNA1HCYP3A4

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 1192/4885CYP3A4 169/4885DPP4 747/4885

“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.