SCHEMBL3518755

SCHEMBL3518755

CCOC(=O)C1(c2ccc(C(F)(F)F)cc2)CCCCC1O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 8/20 0.51
SLC6A4 P31645 6/20 0.51
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
OPRM1 P35372 2/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
SLC22A1 O15245 1/20 0.38
F10 P00742 1/20 0.38
SLC6A2 P23975 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
GPR119 Q8TDV5 1/20 0.37
POLB P06746 1/20 0.36
GAA P10253 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
SCHEMBL3521189 0.86 SLC6A4 (0.55) SLC6A3SLC6A4ALDH1A1KDM4EF10
SCHEMBL3517805 0.84 OPRM1 (0.49) SLC6A3SLC6A4ALDH1A1OPRM1OPRK1
SCHEMBL3519999 0.83 SLC6A3 (0.51) SLC6A3SLC6A4ALDH1A1NPSR1SMN1; SMN2
SCHEMBL5470631 0.81 SLC6A3 (0.52) SLC6A3SLC6A4OPRM1SLC6A2
SCHEMBL3516446 0.81 SLC6A3 (0.52) SLC6A3SLC6A4OPRM1SLC6A2
SCHEMBL3516987 0.81 SLC6A3 (0.52) SLC6A3SLC6A4OPRM1SLC6A2
SCHEMBL3516448 0.81 SLC6A3 (0.52) SLC6A3SLC6A4OPRM1SLC6A2
SCHEMBL3516445 0.81 SLC6A3 (0.52) SLC6A3SLC6A4OPRM1SLC6A2
SCHEMBL3518139 0.79 SLC6A3 (0.52) SLC6A3SLC6A4OPRM1SLC6A2
SCHEMBL3520297 0.78 SLC6A3 (0.55) SLC6A3SLC6A4OPRM1F10SLC6A2

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
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
US-20070203111-A1 Cycloalkylamines as monoamine reuptake inhibitors SEPRACOR INC. (US) 2007-08-30 US 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 5/4885ALDH1A1 1474/4885
US-20070203111-A1 Cycloalkylamines as monoamine reuptake inhibitors SLC18A2, SLC6A2, SLC18A3 SLC6A3 4/4885SLC6A4 5/4885ALDH1A1 1474/4885
US-20100190861-A1 CYCLOALKYLAMINES AS MONOAMINE REUPTAKE INHIBITORS SLC18A2, SLC6A2, SLC18A3 SLC6A3 4/4885SLC6A4 5/4885ALDH1A1 1474/4885
US-10562878-B2 Cycloalkylamines as monoamine reuptake inhibitors SLC18A2, SLC6A2, SLC18A3 SLC6A3 4/4885SLC6A4 5/4885ALDH1A1 1474/4885

“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.