SCHEMBL3516539

SCHEMBL3516539

NCC1(c2ccc(OC(F)(F)F)cc2)CCC(O)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 16/20 1.00
SLC6A3 Q01959 13/20 0.70
AURKA O14965 1/20 0.44
RPS6KB1 P23443 1/20 0.44
SLC6A2 P23975 1/20 0.42
DPP4 P27487 1/20 0.41
HSD11B1 P28845 1/20 0.41

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
SCHEMBL2834145 0.83 SLC6A4 (0.71) SLC6A4SLC6A3SLC6A2DPP4
SCHEMBL3516546 0.82 SLC6A4 (1.00) SLC6A4SLC6A3HSD11B1
SCHEMBL3519279 0.82 SLC6A4 (1.00) SLC6A4SLC6A3SLC6A2HSD11B1
SCHEMBL3518765 0.82 SLC6A4 (0.69) SLC6A4SLC6A3SLC6A2DPP4
SCHEMBL3223819 0.81 SLC6A4 (0.68) SLC6A4SLC6A3DPP4
SCHEMBL5086504 0.80 SLC6A4 (0.77) SLC6A4SLC6A3SLC6A2HSD11B1
SCHEMBL3523695 0.80 SLC6A4 (1.00) SLC6A4SLC6A3AURKARPS6KB1SLC6A2
SCHEMBL13510872 0.79 SLC6A4 (0.66) SLC6A4SLC6A3AURKARPS6KB1SLC6A2
SCHEMBL22817125 0.79 SLC6A4 (0.65) SLC6A4SLC6A3SLC6A2HSD11B1
SCHEMBL3214851 0.79 SLC6A4 (0.64) SLC6A4SLC6A3DPP4HSD11B1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101394847-B Cycloalkylamines as monoamine reuptake inhibitors 塞普拉柯公司 2017-05-24 CN claimed
US-10562878-B2 Cycloalkylamines as monoamine reuptake inhibitors SUNOVION PHARAMCEUTICALS INC. (US) 2020-02-18 US disclosed
US-9868718-B2 Cycloalkylamines as monoamine reuptake inhibitors SUNOVION PHARMACEUTICALS INC. (US) 2018-01-16 US disclosed
EP-1976513-B1 CYCLOALKYLAMINES AS MONOAMINE REUPTAKE INHIBITORS SUNOVION PHARMACEUTICALS INC (US) 2016-08-24 EP disclosed
US-20150126511-A1 CYCLOALKYLAMINES AS MONOAMINE REUPTAKE INHIBITORS SUNOVION PHARMACEUTICALS INC. 2015-05-07 US disclosed
US-8877975-B2 Cycloalkylamines as monoamine reuptake inhibitors SUNOVION PHARMACEUTICALS INC. (US) 2014-11-04 US disclosed
US-20100190861-A1 CYCLOALKYLAMINES AS MONOAMINE REUPTAKE INHIBITORS SUNOVION PHARMACEUTICALS INC. 2010-07-29 US disclosed
EP-1976513-A2 CYCLOALKYLAMINES AS MONOAMINE REUPTAKE INHIBITORS Sepracor, Inc. (US) 2008-10-08 EP disclosed
US-20070203111-A1 Cycloalkylamines as monoamine reuptake inhibitors SEPRACOR INC. (US) 2007-08-30 US disclosed
WO-2007081857-A2 CYCLOALKYLAMINES AS MONOAMINE REUPTAKE INHIBITORS SEPRACOR INC. (US) 2007-07-19 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 (4 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-20150126511-A1 CYCLOALKYLAMINES AS MONOAMINE REUPTAKE INHIBITORS SLC18A2, SLC6A2, SLC18A3 SLC6A4 5/4885SLC6A3 4/4885AURKA 4304/4885
US-20070203111-A1 Cycloalkylamines as monoamine reuptake inhibitors SLC18A2, SLC6A2, SLC18A3 SLC6A4 5/4885SLC6A3 4/4885AURKA 4304/4885
US-20100190861-A1 CYCLOALKYLAMINES AS MONOAMINE REUPTAKE INHIBITORS SLC18A2, SLC6A2, SLC18A3 SLC6A4 5/4885SLC6A3 4/4885AURKA 4304/4885
US-10562878-B2 Cycloalkylamines as monoamine reuptake inhibitors SLC18A2, SLC6A2, SLC18A3 SLC6A4 5/4885SLC6A3 4/4885AURKA 4304/4885

“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.