SCHEMBL4314784

SCHEMBL4314784

CC(C)(C)OC(=O)CN(C1CCOCC1)[C@@H]1CCNC1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 19/20 0.44
SLC6A2 P23975 14/20 0.44
CYP2D6 P10635 11/20 0.44
SLC6A3 Q01959 7/20 0.44
KCNH2 Q12809 5/20 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
SCHEMBL5245543 0.93 SLC6A4 (0.38) SLC6A4SLC6A2CYP2D6SLC6A3KCNH2
SCHEMBL1867081 0.77 SLC6A4 (0.39) SLC6A4SLC6A2CYP2D6SLC6A3KCNH2
SCHEMBL1867082 0.77 SLC6A4 (0.39) SLC6A4SLC6A2CYP2D6SLC6A3KCNH2
SCHEMBL1872757 0.77 SLC6A4 (0.39) SLC6A4SLC6A2CYP2D6SLC6A3KCNH2
SCHEMBL28724713 0.75 PIK3CD (0.42)
SCHEMBL4314759 0.73 SLC6A2 (0.42) SLC6A4SLC6A2CYP2D6SLC6A3KCNH2
SCHEMBL5244702 0.73 SLC6A2 (0.42) SLC6A4SLC6A2CYP2D6SLC6A3KCNH2
SCHEMBL1717258 0.72 GPR119 (0.35) SLC6A4SLC6A2CYP2D6SLC6A3KCNH2
SCHEMBL2276331 0.71 SLC6A4 (0.39) SLC6A4SLC6A2CYP2D6SLC6A3KCNH2
SCHEMBL2276334 0.71 SLC6A4 (0.39) SLC6A4SLC6A2CYP2D6SLC6A3KCNH2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7615648-B2 Aminomethyl-azacycle derivatives as inhibitors of monoamine uptake ELI LILLY AND COMPANY (US) 2009-11-10 US disclosed
US-20080004330-A1 Aminomethyl-Azacycle Derivatives as Inhibitors of Monoamine Uptake ELI LILLY AND COMPANY 2008-01-03 US 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-20080004330-A1 Aminomethyl-Azacycle Derivatives as Inhibitors of Monoamine Uptake SLC6A2, TPH1, SLC6A3 SLC6A4 8/4885SLC6A2 1/4885CYP2D6 235/4885

“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.