SCHEMBL4495136

SCHEMBL4495136

CC(C)(O)CN(Cc1c(F)cccc1Cl)[C@H]1CCNC1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 19/20 0.46
SLC6A2 P23975 18/20 0.46
SLC6A3 Q01959 12/20 0.46
KCNH2 Q12809 2/20 0.46
GAA P10253 1/20 0.46
CYP2D6 P10635 4/20 0.45
CYP3A4 P08684 1/20 0.42

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 SCHEMBL4483216 0.91 SLC6A4 (0.54) SLC6A4SLC6A2SLC6A3KCNH2CYP2D6
SCHEMBL5763293 0.83 SLC6A4 (0.49) SLC6A4SLC6A2SLC6A3KCNH2GAA
SCHEMBL5762868 0.82 SLC6A2 (0.64) SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL4484402 0.78 SLC6A4 (0.61) SLC6A4SLC6A2SLC6A3KCNH2CYP2D6
SCHEMBL4494130 0.78 SLC6A2 (0.47) SLC6A4SLC6A2SLC6A3KCNH2GAA
SCHEMBL4498629 0.77 SLC6A4 (0.47) SLC6A4SLC6A2SLC6A3KCNH2GAA
SCHEMBL4489224 0.76 SLC6A2 (0.70) SLC6A4SLC6A2SLC6A3KCNH2GAA
SCHEMBL4479065 0.75 SLC6A4 (0.53) SLC6A4SLC6A2SLC6A3KCNH2GAA
SCHEMBL4482954 0.75 SLC6A2 (0.45) SLC6A4SLC6A2SLC6A3GAACYP2D6
SCHEMBL4500767 0.75 SLC6A2 (0.66) SLC6A4SLC6A2SLC6A3KCNH2CYP2D6

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 5 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

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 1/4885SLC6A3 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.