SCHEMBL3516987

SCHEMBL3516987

O=C(O)[C@]1(c2ccc(C(F)(F)F)cc2)CCCC[C@H]1O

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 6/20 0.52
SLC6A4 P31645 4/20 0.52
APP P05067 1/20 0.41
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
KDM1A O60341 1/20 0.41
LTB4R Q15722 1/20 0.40
LTB4R2 Q9NPC1 1/20 0.40
THRB P10828 1/20 0.38
PDE2A O00408 1/20 0.38
SLC6A2 P23975 1/20 0.38
OPRM1 P35372 1/20 0.37
OPRL1 P41146 1/20 0.37
NOTUM Q6P988 1/20 0.36
CETP P11597 1/20 0.36
EPHX2 P34913 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
AKR1C1 Q04828 1/20 0.36

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
SCHEMBL3516448 1.00 SLC6A3 (0.52) SLC6A3SLC6A4APPMAOAMAOB
SCHEMBL5470631 1.00 SLC6A3 (0.52) SLC6A3SLC6A4APPMAOAMAOB
SCHEMBL3516445 1.00 SLC6A3 (0.52) SLC6A3SLC6A4APPMAOAMAOB
SCHEMBL3516446 1.00 SLC6A3 (0.52) SLC6A3SLC6A4APPMAOAMAOB
SCHEMBL3521044 0.82 SLC6A4 (0.55) SLC6A3SLC6A4PDE2ASLC6A2EPHX2
SCHEMBL3521040 0.82 SLC6A4 (0.55) SLC6A3SLC6A4PDE2ASLC6A2EPHX2
SCHEMBL5472538 0.82 SLC6A4 (0.55) SLC6A3SLC6A4PDE2ASLC6A2EPHX2
SCHEMBL3521037 0.82 SLC6A4 (0.55) SLC6A3SLC6A4PDE2ASLC6A2EPHX2
SCHEMBL3516941 0.82 SLC6A4 (0.55) SLC6A3SLC6A4PDE2ASLC6A2EPHX2
SCHEMBL3918465 0.82 SLC6A3 (0.50) SLC6A3MAOBAKR1C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 SLC6A3 4/4885SLC6A4 5/4885APP 489/4885
US-20070203111-A1 Cycloalkylamines as monoamine reuptake inhibitors SLC18A2, SLC6A2, SLC18A3 SLC6A3 4/4885SLC6A4 5/4885APP 489/4885
US-20100190861-A1 CYCLOALKYLAMINES AS MONOAMINE REUPTAKE INHIBITORS SLC18A2, SLC6A2, SLC18A3 SLC6A3 4/4885SLC6A4 5/4885APP 489/4885
US-10562878-B2 Cycloalkylamines as monoamine reuptake inhibitors SLC18A2, SLC6A2, SLC18A3 SLC6A3 4/4885SLC6A4 5/4885APP 489/4885

“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.