SCHEMBL4485346

SCHEMBL4485346

Clc1ccc(CN(CC2CCCCC2)C2CCNC2)cc1Cl

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 14/20 0.70
SLC6A4 P31645 14/20 0.70
SLC6A3 Q01959 13/20 0.70
CYP2D6 P10635 6/20 0.54
CYP2C9 P11712 4/20 0.52
KCNH2 Q12809 4/20 0.52
CYP3A4 P08684 3/20 0.52
CYP2C19 P33261 3/20 0.52
CYP1A2 P05177 2/20 0.52
SIGMAR1 Q99720 2/20 0.42
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
TSHR P16473 1/20 0.40
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39

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
SCHEMBL4497251 0.94 SLC6A2 (0.67) SLC6A2SLC6A4SLC6A3CYP2D6CYP2C9
SCHEMBL5995070 0.93 SLC6A2 (0.73) SLC6A2SLC6A4SLC6A3CYP2D6CYP2C9
SCHEMBL5995859 0.86 SLC6A2 (0.70) SLC6A2SLC6A4SLC6A3CYP2D6CYP2C9
SCHEMBL4495806 0.81 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3CYP2D6CYP2C9
SCHEMBL4491214 0.81 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL5763178 0.80 SLC6A2 (0.59) SLC6A2SLC6A4SLC6A3CYP2D6CYP2C9
SCHEMBL4483249 0.79 SLC6A2 (0.61) SLC6A2SLC6A4SLC6A3CYP2D6CYP2C9
SCHEMBL4483656 0.79 SLC6A2 (0.69) SLC6A2SLC6A4SLC6A3CYP2D6CYP2C9
SCHEMBL4498479 0.79 SLC6A2 (0.72) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL5995030 0.78 NOS2 (0.54) SLC6A2SLC6A4SLC6A3CYP2D6CYP2C9

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 SLC6A2 1/4885SLC6A4 5/4885SLC6A3 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.