SCHEMBL4483568

SCHEMBL4483568

Cc1cccc(CN(C(C)C)[C@H]2CCNC2)c1C

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 19/20 0.61
SLC6A2 P23975 15/20 0.61
SLC6A3 Q01959 10/20 0.61
CYP2D6 P10635 7/20 0.61
KCNH2 Q12809 3/20 0.48
CYP3A4 P08684 1/20 0.45
NOS3 P29474 1/20 0.44
NOS1 P29475 1/20 0.44
NOS2 P35228 1/20 0.44

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
Fumaric Acid SCHEMBL4477131 0.90 SLC6A2 (0.60) SLC6A4SLC6A2SLC6A3CYP2D6
Cadaverine Tartrate SCHEMBL4481330 0.90 SLC6A4 (0.52) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
Fumaric Acid SCHEMBL4477128 0.90 SLC6A2 (0.60) SLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL4483124 0.81 SLC6A4 (0.67) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL4485997 0.81 SLC6A4 (0.55) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL4475702 0.79 SLC6A4 (0.80) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL4495088 0.78 SLC6A2 (0.85) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL4491715 0.78 SLC6A2 (0.67) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL4478225 0.78 SLC6A2 (0.69) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL5763229 0.78 SLC6A4 (0.66) 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.