SCHEMBL3520311

SCHEMBL3520311

O=C(O)[C@]1(c2cccc(Cl)c2)CCCC[C@@H]1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 5/20 0.54
SLC6A4 P31645 4/20 0.54
CNR2 P34972 1/20 0.44
CCR2 P41597 1/20 0.43
HSD11B1 P28845 1/20 0.41
EPHX2 P34913 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
EPHX1 P07099 2/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SLC6A2 P23975 2/20 0.39
EP300 Q09472 1/20 0.39
CREBBP Q92793 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39

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
SCHEMBL3520309 1.00 SLC6A3 (0.54) SLC6A3SLC6A4CNR2CCR2HSD11B1
SCHEMBL3516050 1.00 SLC6A3 (0.54) SLC6A3SLC6A4CNR2CCR2HSD11B1
SCHEMBL3516048 1.00 SLC6A3 (0.54) SLC6A3SLC6A4CNR2CCR2HSD11B1
SCHEMBL3516046 1.00 SLC6A3 (0.54) SLC6A3SLC6A4CNR2CCR2HSD11B1
SCHEMBL3516406 0.84 SLC6A3 (0.67) SLC6A3SLC6A4CNR2CCR2EPHX2
SCHEMBL3516408 0.84 SLC6A3 (0.67) SLC6A3SLC6A4CNR2CCR2EPHX2
SCHEMBL3519551 0.84 SLC6A3 (0.67) SLC6A3SLC6A4CNR2CCR2EPHX2
SCHEMBL3519550 0.84 SLC6A3 (0.67) SLC6A3SLC6A4CNR2CCR2EPHX2
SCHEMBL3516404 0.84 SLC6A3 (0.67) SLC6A3SLC6A4CNR2CCR2EPHX2
SCHEMBL3918465 0.84 SLC6A3 (0.50) SLC6A3MEN1KMT2ALMNAAKR1C1

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 5/4885CNR2 55/4885
US-20070203111-A1 Cycloalkylamines as monoamine reuptake inhibitors SLC18A2, SLC6A2, SLC18A3 SLC6A3 4/4885SLC6A4 5/4885CNR2 55/4885
US-20100190861-A1 CYCLOALKYLAMINES AS MONOAMINE REUPTAKE INHIBITORS SLC18A2, SLC6A2, SLC18A3 SLC6A3 4/4885SLC6A4 5/4885CNR2 55/4885
US-10562878-B2 Cycloalkylamines as monoamine reuptake inhibitors SLC18A2, SLC6A2, SLC18A3 SLC6A3 4/4885SLC6A4 5/4885CNR2 55/4885

“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.