SCHEMBL4488758

SCHEMBL4488758

COc1ccc(CN(CC2CCCCC2)C2CCNC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 10/20 0.46
SLC6A4 P31645 10/20 0.46
SLC6A3 Q01959 9/20 0.46
CYP2D6 P10635 1/20 0.46
PTGES O14684 1/20 0.44
TAS2R14 Q9NYV8 1/20 0.44
TDP1 Q9NUW8 1/20 0.40
EED O75530 1/20 0.40
KCNH2 Q12809 1/20 0.39
HTT P42858 1/20 0.39
YAP1 P46937 1/20 0.39
TEAD4 Q15561 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
REN P00797 1/20 0.38

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
SCHEMBL4483536 0.94 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3CYP2D6TDP1
SCHEMBL5993822 0.93 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3PTGESTAS2R14
SCHEMBL4495806 0.86 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL5993823 0.86 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3CYP2D6TDP1
SCHEMBL4491214 0.83 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL4498305 0.80 SLC6A2 (0.67) SLC6A2SLC6A4SLC6A3
SCHEMBL23951718 0.79 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3TDP1
SCHEMBL4498808 0.79 SLC6A2 (0.67) SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL5993952 0.78 SLC6A2 (0.63) SLC6A2SLC6A4SLC6A3CNR1CNR2
Hydrochloric Acid SCHEMBL23924480 0.78 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3CYP2D6TDP1

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.