SCHEMBL4495996

SCHEMBL4495996

Clc1cccc(CN(C2CCC2)[C@H]2CCNC2)c1Cl

nearest known ligand 0.81

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 20/20 0.81
SLC6A2 P23975 15/20 0.81
SLC6A3 Q01959 12/20 0.81
CYP2D6 P10635 9/20 0.81
KCNH2 Q12809 3/20 0.60
CYP3A4 P08684 1/20 0.60

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
SCHEMBL5820900 1.00 SLC6A4 (0.81) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL4490088 0.99 SLC6A4 (0.80) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL4480234 0.97 SLC6A4 (0.78) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL6189384 0.92 SLC6A4 (0.69) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL4497831 0.90 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
Cadaverine Tartrate SCHEMBL4494756 0.89 SLC6A4 (0.66) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
Cadaverine Tartrate SCHEMBL4484720 0.88 SLC6A4 (0.65) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL4479763 0.88 SLC6A4 (0.64) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
Cadaverine Tartrate SCHEMBL4483171 0.87 SLC6A4 (0.64) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL4481099 0.84 SLC6A4 (0.67) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2

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 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.