SCHEMBL4482954

SCHEMBL4482954

Fc1cccc(Cl)c1CN(Cc1cccnc1)[C@H]1CCNC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 11/20 0.45
SLC6A4 P31645 10/20 0.45
SLC6A3 Q01959 9/20 0.45
CYP2D6 P10635 4/20 0.45
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CHRM2 P08172 2/20 0.40
CHRM1 P11229 2/20 0.40
CHRNB2 P17787 2/20 0.40
CHRM3 P20309 2/20 0.40
CHRNA4 P43681 2/20 0.40
HTR1A P08908 2/20 0.39
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GAA P10253 1/20 0.38
MBTPS1 Q14703 1/20 0.37

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
SCHEMBL4494130 0.88 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3CYP2D6HTR1A
SCHEMBL4489224 0.80 SLC6A2 (0.70) SLC6A2SLC6A4SLC6A3CYP2D6HTR1A
SCHEMBL5763293 0.78 SLC6A4 (0.49) SLC6A2SLC6A4SLC6A3CYP2D6GAA
SCHEMBL5762868 0.77 SLC6A2 (0.64) SLC6A2SLC6A4SLC6A3
SCHEMBL4495136 0.75 SLC6A4 (0.46) SLC6A2SLC6A4SLC6A3CYP2D6GAA
SCHEMBL4478501 0.74 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL4479065 0.73 SLC6A4 (0.53) SLC6A2SLC6A4SLC6A3CYP2D6GAA
SCHEMBL4498629 0.72 SLC6A4 (0.47) SLC6A2SLC6A4SLC6A3CYP2D6GAA
SCHEMBL4480776 0.70 SLC6A4 (0.68) SLC6A2SLC6A4SLC6A3CYP2D6KMT2A
SCHEMBL5994714 0.70 SLC6A2 (0.73) SLC6A2SLC6A4SLC6A3

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 5 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

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.