SCHEMBL4487939

SCHEMBL4487939

FC(F)(F)c1ccccc1CN(C1CCOCC1)[C@H]1CCNC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 20/20 1.00
SLC6A2 P23975 15/20 1.00
CYP2D6 P10635 11/20 1.00
KCNH2 Q12809 5/20 1.00
SLC6A3 Q01959 8/20 0.70

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
SCHEMBL5993923 0.94 SLC6A4 (0.88) SLC6A4SLC6A2CYP2D6KCNH2SLC6A3
SCHEMBL5763468 0.93 SLC6A4 (0.87) SLC6A4SLC6A2CYP2D6KCNH2SLC6A3
SCHEMBL5126491 0.93 SLC6A4 (0.87) SLC6A4SLC6A2CYP2D6KCNH2SLC6A3
SCHEMBL4481068 0.93 SLC6A4 (0.87) SLC6A4SLC6A2CYP2D6KCNH2SLC6A3
SCHEMBL4486883 0.93 SLC6A4 (0.87) SLC6A4SLC6A2CYP2D6KCNH2SLC6A3
SCHEMBL4483132 0.89 SLC6A4 (0.87) SLC6A4SLC6A2CYP2D6KCNH2SLC6A3
SCHEMBL4495016 0.88 SLC6A4 (0.85) SLC6A4SLC6A2CYP2D6KCNH2SLC6A3
SCHEMBL4486818 0.86 SLC6A4 (0.75) SLC6A4SLC6A2CYP2D6KCNH2SLC6A3
SCHEMBL4480782 0.85 SLC6A4 (0.73) SLC6A4SLC6A2CYP2D6KCNH2SLC6A3
Fumaric Acid SCHEMBL5995768 0.84 SLC6A4 (0.82) SLC6A4SLC6A2CYP2D6KCNH2SLC6A3

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 11 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-20070105960-A1 Treatment of learning disabilities and motor skills disorder with norepinephrine reuptake inhibitors ELI LILLY AND COMPANY (US) 2007-05-10 US disclosed
US-20070032554-A1 Treatment of stuttering and other communication disorders with norepinephrine reuptake inhibitors ELILILLY AND COMPANY A CORPORATION 2007-02-08 US disclosed
US-20070015786-A1 Treatment of hot flashes, impulse control disorders and personality change due to a general medical condition ELI LILY AND COMPANY (US) 2007-01-18 US disclosed
US-20060270713-A1 3-Aminopyrrolidines as inhibitors of monoamine uptake ELI LILLY AND COMPANY 2006-11-30 US disclosed
US-20060241188-A1 Treatment of pervasive developemental disorders with norepinephrine reuptake inhibitors ELILILLY AND COMPANY (US) 2006-10-26 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 (5 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-20060241188-A1 Treatment of pervasive developemental disorders with norepinephrine reuptake inhibitors SLC6A2, SLC6A3, SLC6A4 SLC6A4 3/4885SLC6A2 1/4885CYP2D6 231/4885
US-20070105960-A1 Treatment of learning disabilities and motor skills disorder with norepinephrine reuptake inhibitors SLC6A2, SLC6A3, SLC6A4 SLC6A4 3/4885SLC6A2 1/4885CYP2D6 945/4885
US-20070032554-A1 Treatment of stuttering and other communication disorders with norepinephrine reuptake inhibitors SLC6A2, SLC6A4, SLC6A3 SLC6A4 2/4885SLC6A2 1/4885CYP2D6 1256/4885
US-20060270713-A1 3-Aminopyrrolidines as inhibitors of monoamine uptake SLC6A2, SLC6A3, SLC18A2 SLC6A4 5/4885SLC6A2 1/4885CYP2D6 97/4885
US-20070015786-A1 Treatment of hot flashes, impulse control disorders and personality change due to a general medical condition SLC6A2, SLC6A4, HTR5A SLC6A4 2/4885SLC6A2 1/4885CYP2D6 608/4885

“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.