SCHEMBL3516420

SCHEMBL3516420

O=C(O)[C@@]1(c2ccc(Cl)c(Cl)c2)CCCC[C@H]1O

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 19/20 0.56
SLC6A4 P31645 16/20 0.56
SLC6A2 P23975 5/20 0.43
CYP3A4 P08684 4/20 0.43
CYP2D6 P10635 4/20 0.43
KCNH2 Q12809 4/20 0.43
CYP1A1 P04798 3/20 0.43
CYP1A2 P05177 3/20 0.43
CCR2 P41597 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL3521657 1.00 SLC6A3 (0.56) SLC6A3SLC6A4SLC6A2CYP3A4CYP2D6
SCHEMBL3521655 1.00 SLC6A3 (0.56) SLC6A3SLC6A4SLC6A2CYP3A4CYP2D6
SCHEMBL3516424 1.00 SLC6A3 (0.56) SLC6A3SLC6A4SLC6A2CYP3A4CYP2D6
SCHEMBL3516421 1.00 SLC6A3 (0.56) SLC6A3SLC6A4SLC6A2CYP3A4CYP2D6
SCHEMBL5086938 1.00 SLC6A3 (0.56) SLC6A3SLC6A4SLC6A2CYP3A4CYP2D6
SCHEMBL3519132 0.88 SLC6A3 (0.56) SLC6A3SLC6A4SLC6A2CYP3A4CYP2C19
SCHEMBL3521370 0.88 SLC6A3 (0.56) SLC6A3SLC6A4SLC6A2CYP3A4CYP2C19
SCHEMBL3519135 0.88 SLC6A3 (0.56) SLC6A3SLC6A4SLC6A2CYP3A4CYP2C19
SCHEMBL3521373 0.88 SLC6A3 (0.56) SLC6A3SLC6A4SLC6A2CYP3A4CYP2C19
SCHEMBL3519139 0.88 SLC6A3 (0.56) SLC6A3SLC6A4SLC6A2CYP3A4CYP2C19

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 5/4885SLC6A2 2/4885
US-20070203111-A1 Cycloalkylamines as monoamine reuptake inhibitors SLC18A2, SLC6A2, SLC18A3 SLC6A3 4/4885SLC6A4 5/4885SLC6A2 2/4885
US-20100190861-A1 CYCLOALKYLAMINES AS MONOAMINE REUPTAKE INHIBITORS SLC18A2, SLC6A2, SLC18A3 SLC6A3 4/4885SLC6A4 5/4885SLC6A2 2/4885
US-10562878-B2 Cycloalkylamines as monoamine reuptake inhibitors SLC18A2, SLC6A2, SLC18A3 SLC6A3 4/4885SLC6A4 5/4885SLC6A2 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.