SCHEMBL4498808

SCHEMBL4498808

CCCCN(Cc1ccc(OC)cc1)C1CCNC1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 10/20 0.67
SLC6A4 P31645 10/20 0.67
SLC6A3 Q01959 5/20 0.67
DRD2 P14416 1/20 0.46
NOS2 P35228 1/20 0.42
KCNH2 Q12809 1/20 0.42
KMT2A Q03164 1/20 0.41
TACR1 P25103 1/20 0.41
MBTPS1 Q14703 3/20 0.40
F10 P00742 1/20 0.40
PLAU P00749 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL5993873 0.92 SLC6A2 (0.57) SLC6A2SLC6A4SLC6A3DRD2NOS2
SCHEMBL4486350 0.86 SLC6A2 (0.68) SLC6A2SLC6A4SLC6A3NOS2KCNH2
SCHEMBL4484262 0.85 SLC6A2 (0.67) SLC6A2SLC6A4SLC6A3NOS2KCNH2
SCHEMBL4489240 0.84 SLC6A2 (0.73) SLC6A2SLC6A4SLC6A3NOS2KCNH2
SCHEMBL20871388 0.83 DRD2 (0.50) SLC6A2SLC6A4SLC6A3DRD2KMT2A
SCHEMBL4483536 0.82 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3SMN1; SMN2
SCHEMBL4498305 0.81 SLC6A2 (0.67) SLC6A2SLC6A4SLC6A3
SCHEMBL20871142 0.79 DRD2 (0.49) SLC6A2SLC6A4SLC6A3DRD2KMT2A
SCHEMBL4488758 0.79 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL4486367 0.79 SLC6A2 (0.69) SLC6A2SLC6A4SLC6A3NOS2KCNH2

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.