SCHEMBL4486971

SCHEMBL4486971

CC(C)N(Cc1ccc(Cl)cc1)[C@H]1CCNC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.53
NOS1 P29475 2/20 0.53
NOS2 P35228 2/20 0.53
SLC6A2 P23975 17/20 0.50
SLC6A4 P31645 17/20 0.50
CYP2D6 P10635 2/20 0.50
KCNH2 Q12809 2/20 0.50
SLC6A3 Q01959 10/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
MBTPS1 Q14703 1/20 0.47

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
SCHEMBL654900 1.00 NOS3 (0.53) NOS3NOS1NOS2SLC6A2SLC6A4
Fumaric Acid SCHEMBL4491779 0.89 SLC6A2 (0.54) NOS3NOS1NOS2SLC6A2SLC6A4
Fumaric Acid SCHEMBL4491783 0.89 SLC6A2 (0.54) NOS3NOS1NOS2SLC6A2SLC6A4
SCHEMBL4490732 0.87 SLC6A2 (0.51) NOS3NOS1NOS2SLC6A2SLC6A4
SCHEMBL4489392 0.86 SLC6A2 (0.57) NOS3NOS1NOS2SLC6A2SLC6A4
SCHEMBL4484165 0.85 SLC6A2 (0.52) NOS3NOS1NOS2SLC6A2SLC6A4
SCHEMBL4486778 0.83 SLC6A4 (0.61) SLC6A2SLC6A4KCNH2SLC6A3
SCHEMBL5815530 0.83 SLC6A4 (0.61) SLC6A2SLC6A4KCNH2SLC6A3
SCHEMBL4475386 0.82 SLC6A2 (0.69) NOS3NOS1NOS2SLC6A2SLC6A4
SCHEMBL653195 0.81 SLC6A2 (0.66) NOS1NOS2SLC6A2SLC6A4SLC6A3

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 NOS3 682/4885NOS1 954/4885NOS2 1087/4885

“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.