SCHEMBL4499795

SCHEMBL4499795

COCC(C)N(Cc1cc(Cl)cc(Cl)c1)[C@H]1CCNC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 15/20 0.45
SLC6A4 P31645 15/20 0.45
SLC6A3 Q01959 9/20 0.45
KCNH2 Q12809 3/20 0.40
CYP2D6 P10635 2/20 0.40
TACR1 P25103 1/20 0.38
NOS3 P29474 2/20 0.37
NOS1 P29475 2/20 0.37
NOS2 P35228 2/20 0.37
MBTPS1 Q14703 1/20 0.37
REN P00797 1/20 0.36

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
SCHEMBL5760598 1.00 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
Cadaverine Tartrate SCHEMBL4484275 0.92 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL4490732 0.86 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL5760406 0.81 SLC6A2 (0.60) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL4485981 0.81 SLC6A2 (0.60) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL4498820 0.78 SLC6A2 (0.61) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL5761944 0.78 SLC6A2 (0.61) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
Cadaverine Tartrate SCHEMBL4486328 0.77 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
Fumaric Acid SCHEMBL4481895 0.76 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
Fumaric Acid SCHEMBL4481893 0.76 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7619096-B2 3-Aminopyrrolidines as inhibitors of monoamine uptake ELI LILLY AND COMPANY (US) 2009-11-17 US disclosed
EP-1638934-B1 3-AMINOPYRROLIDINES AS INHIBITORS OF MONOAMINE UPTAKE LILLY CO ELI (US) 2008-01-09 EP disclosed
US-20060270713-A1 3-Aminopyrrolidines as inhibitors of monoamine uptake ELI LILLY AND COMPANY 2006-11-30 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-20060270713-A1 3-Aminopyrrolidines as inhibitors of monoamine uptake SLC6A2, SLC6A3, SLC18A2 SLC6A2 1/4885SLC6A4 5/4885SLC6A3 2/4885

“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.