SCHEMBL4489380

SCHEMBL4489380

OS1(O)CCC(N(Cc2ccc(Cl)cc2Cl)[C@H]2CCNC2)CC1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 18/20 0.57
SLC6A2 P23975 17/20 0.57
CYP2D6 P10635 4/20 0.56
KCNH2 Q12809 2/20 0.56
SLC6A3 Q01959 7/20 0.54
NOS2 P35228 2/20 0.46
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43

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
SCHEMBL4489382 0.88 SLC6A4 (0.57) SLC6A4SLC6A2CYP2D6KCNH2SLC6A3
SCHEMBL4486154 0.87 SLC6A4 (0.64) SLC6A4SLC6A2CYP2D6KCNH2SLC6A3
SCHEMBL4746288 0.87 SLC6A4 (0.64) SLC6A4SLC6A2CYP2D6KCNH2SLC6A3
SCHEMBL4485355 0.85 SLC6A4 (0.63) SLC6A4SLC6A2CYP2D6KCNH2SLC6A3
SCHEMBL4483224 0.83 SLC6A4 (0.57) SLC6A4SLC6A2CYP2D6KCNH2SLC6A3
SCHEMBL4476276 0.83 SLC6A4 (0.67) SLC6A4SLC6A2CYP2D6KCNH2SLC6A3
Cadaverine Tartrate SCHEMBL4486992 0.83 SLC6A2 (0.57) SLC6A4SLC6A2CYP2D6KCNH2SLC6A3
SCHEMBL4499777 0.79 SLC6A2 (0.66) SLC6A4SLC6A2CYP2D6KCNH2SLC6A3
Cadaverine Tartrate SCHEMBL4486665 0.78 SLC6A2 (0.58) SLC6A4SLC6A2CYP2D6KCNH2SLC6A3
Cadaverine Tartrate SCHEMBL4477362 0.78 SLC6A4 (0.58) SLC6A4SLC6A2CYP2D6KCNH2SLC6A3

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 4 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
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 SLC6A4 5/4885SLC6A2 1/4885CYP2D6 97/4885

“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.