SCHEMBL3516240

SCHEMBL3516240

CNC(C)C1(c2ccc(Cl)cc2)CCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 17/20 1.00
SLC6A3 Q01959 16/20 1.00
SLC6A2 P23975 6/20 0.69
KCNH2 Q12809 3/20 0.69
CYP2D6 P10635 1/20 0.68
CYP3A4 P08684 2/20 0.49
ALOX15 P16050 2/20 0.49
TSHR P16473 2/20 0.49
TP53 P04637 1/20 0.49
CHRM2 P08172 1/20 0.48
ADRA2A P08913 1/20 0.48
ADRA2B P18089 1/20 0.48
ADRA2C P18825 1/20 0.48
HTR2A P28223 1/20 0.48
OPRK1 P41145 1/20 0.48
HTR2B P41595 1/20 0.48
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47

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
SCHEMBL2504 0.95 SLC6A4 (0.90) SLC6A4SLC6A3SLC6A2KCNH2CYP2D6
SCHEMBL3519928 0.83 SLC6A4 (1.00) SLC6A4SLC6A3SLC6A2KCNH2CYP2D6
SCHEMBL13253956 0.82 SLC6A4 (1.00) SLC6A4SLC6A3SLC6A2KCNH2CYP2D6
SCHEMBL3516278 0.82 SLC6A4 (1.00) SLC6A4SLC6A3SLC6A2KCNH2CYP2D6
SCHEMBL13755348 0.82 SLC6A4 (0.73) SLC6A4SLC6A3SLC6A2KCNH2CYP2D6
Hydrochloric Acid SCHEMBL3517967 0.81 KCNH2 (1.00) SLC6A4SLC6A3SLC6A2KCNH2CYP2D6
SCHEMBL3519993 0.80 SLC6A4 (1.00) SLC6A4SLC6A3SLC6A2KCNH2CYP2D6
SCHEMBL13332852 0.80 SLC6A4 (0.70) SLC6A4SLC6A3SLC6A2KCNH2CYP2D6
Hydrochloric Acid SCHEMBL2185 0.79 SLC6A4 (0.66) SLC6A4SLC6A3SLC6A2KCNH2CYP2D6
SCHEMBL3517010 0.79 SLC6A4 (1.00) SLC6A4SLC6A3SLC6A2KCNH2CYP3A4

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