SCHEMBL4482541

SCHEMBL4482541

CC(C)CN(Cc1ccc(Cl)cc1Cl)[C@H]1CCNC1

nearest known ligand 0.86

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 16/20 0.86
SLC6A4 P31645 16/20 0.86
SLC6A3 Q01959 5/20 0.86
CYP2D6 P10635 1/20 0.65
KCNH2 Q12809 1/20 0.65
NOS1 P29475 4/20 0.63
NOS2 P35228 4/20 0.63

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
SCHEMBL5805973 1.00 SLC6A2 (0.86) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL5996670 0.93 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL5760407 0.90 SLC6A2 (0.69) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL4499777 0.88 SLC6A2 (0.66) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL4486645 0.88 SLC6A2 (0.67) SLC6A2SLC6A4SLC6A3NOS1NOS2
SCHEMBL4489175 0.88 SLC6A2 (0.67) SLC6A2SLC6A4SLC6A3NOS1NOS2
SCHEMBL4489204 0.85 SLC6A2 (0.85) SLC6A2SLC6A4SLC6A3CYP2D6NOS1
SCHEMBL4498361 0.84 SLC6A2 (0.65) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL4475386 0.84 SLC6A2 (0.69) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL6206396 0.84 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3NOS1NOS2

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 8 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
US-20080306123-A1 NOVEL COMPOUNDS PFIZER INC. (US) 2008-12-11 US disclosed
US-20080306123-A1 NOVEL COMPOUNDS PFIZER INC. (US) 2008-12-11 US disclosed
EP-1638934-B1 3-AMINOPYRROLIDINES AS INHIBITORS OF MONOAMINE UPTAKE LILLY CO ELI (US) 2008-01-09 EP 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-20080306123-A1 NOVEL COMPOUNDS ADRB3, HTR3A, HTR3C SLC6A2 51/4885SLC6A4 93/4885SLC6A3 74/4885

“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.