SCHEMBL4490732

SCHEMBL4490732

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

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 18/20 0.51
SLC6A4 P31645 18/20 0.51
SLC6A3 Q01959 11/20 0.51
NOS3 P29474 2/20 0.48
NOS1 P29475 2/20 0.48
NOS2 P35228 2/20 0.48
KCNH2 Q12809 4/20 0.45
CYP2D6 P10635 3/20 0.45
CYP3A4 P08684 1/20 0.40

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 SCHEMBL4486328 0.90 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3NOS3NOS1
Fumaric Acid SCHEMBL4481895 0.89 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
Fumaric Acid SCHEMBL4481893 0.89 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL4486971 0.87 NOS3 (0.53) SLC6A2SLC6A4SLC6A3NOS3NOS1
SCHEMBL654900 0.87 NOS3 (0.53) SLC6A2SLC6A4SLC6A3NOS3NOS1
SCHEMBL4484165 0.86 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3NOS3NOS1
SCHEMBL4499795 0.86 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3NOS3NOS1
SCHEMBL5760598 0.86 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3NOS3NOS1
SCHEMBL4475689 0.84 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3NOS3NOS1
SCHEMBL4489392 0.82 SLC6A2 (0.57) SLC6A2SLC6A4SLC6A3NOS3NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1638934-A1 3-AMINOPYRROLIDINES AS INHIBITORS OF MONOAMINE UPTAKE ELI LILLY AND COMPANY (US) 2006-03-29 EP claimed
WO-2005000811-A1 3-AMINOPYRROLIDINES AS INHIBITORS OF MONOAMINE UPTAKE ELI LILLY AND COMPANY (US) 2005-01-06 WO claimed
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
EP-1638934-A1 3-AMINOPYRROLIDINES AS INHIBITORS OF MONOAMINE UPTAKE ELI LILLY AND COMPANY (US) 2006-03-29 EP disclosed
WO-2005000811-A1 3-AMINOPYRROLIDINES AS INHIBITORS OF MONOAMINE UPTAKE ELI LILLY AND COMPANY (US) 2005-01-06 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-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.