SCHEMBL4324698

SCHEMBL4324698

Clc1ccc(CN(CC2CC2)C[C@H]2CCNC2)c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 16/20 0.51
SLC6A4 P31645 16/20 0.51
CYP2D6 P10635 2/20 0.50
KCNH2 Q12809 1/20 0.50
SLC6A3 Q01959 5/20 0.48
NOS3 P29474 2/20 0.44
NOS1 P29475 2/20 0.44
NOS2 P35228 2/20 0.44
CHRM1 P11229 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
Cadaverine Tartrate SCHEMBL4322246 0.90 SLC6A2 (0.53) SLC6A2SLC6A4CYP2D6KCNH2SLC6A3
SCHEMBL5286650 0.90 SLC6A2 (0.55) SLC6A2SLC6A4CYP2D6KCNH2SLC6A3
SCHEMBL4316564 0.90 SLC6A2 (0.55) SLC6A2SLC6A4CYP2D6KCNH2SLC6A3
SCHEMBL4324834 0.88 SLC6A2 (0.54) SLC6A2SLC6A4CYP2D6KCNH2SLC6A3
SCHEMBL4324930 0.87 SLC6A2 (0.61) SLC6A2SLC6A4CYP2D6KCNH2SLC6A3
SCHEMBL4321553 0.87 SLC6A2 (0.52) SLC6A2SLC6A4CYP2D6KCNH2SLC6A3
SCHEMBL4327407 0.87 SLC6A4 (0.54) SLC6A2SLC6A4CYP2D6KCNH2SLC6A3
SCHEMBL4317568 0.87 SLC6A2 (0.61) SLC6A2SLC6A4CYP2D6KCNH2SLC6A3
Cadaverine Tartrate SCHEMBL4326826 0.81 SLC6A2 (0.54) SLC6A2SLC6A4CYP2D6KCNH2SLC6A3
SCHEMBL4327753 0.81 SLC6A2 (0.57) SLC6A2SLC6A4CYP2D6KCNH2SLC6A3

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 6 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-7615648-B2 Aminomethyl-azacycle derivatives as inhibitors of monoamine uptake ELI LILLY AND COMPANY (US) 2009-11-10 US disclosed
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
US-20080004330-A1 Aminomethyl-Azacycle Derivatives as Inhibitors of Monoamine Uptake ELI LILLY AND COMPANY 2008-01-03 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 SLC6A2 1/4885SLC6A4 8/4885CYP2D6 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.