SCHEMBL3519672

SCHEMBL3519672

N#CC1(c2ccc(Cl)c(Cl)c2)CCC(=O)CC1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.60
SLC6A4 P31645 11/20 0.51
SLC6A3 Q01959 11/20 0.51
PDE4A P27815 1/20 0.48
PDE4B Q07343 1/20 0.48
PDE4C Q08493 1/20 0.48
PDE4D Q08499 1/20 0.48
OPRL1 P41146 1/20 0.43
SLC6A2 P23975 5/20 0.37
BDKRB1 P46663 1/20 0.37

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
SCHEMBL4826627 0.86 OPRM1 (0.71) OPRM1SLC6A4SLC6A3OPRL1SLC6A2
SCHEMBL7377089 0.83 OPRM1 (0.67) OPRM1SLC6A4SLC6A3OPRL1SLC6A2
SCHEMBL1611 0.83 OPRM1 (0.67) OPRM1SLC6A4SLC6A3OPRL1SLC6A2
SCHEMBL3521450 0.82 SLC6A4 (0.52) OPRM1SLC6A4SLC6A3PDE4APDE4B
SCHEMBL19772418 0.82 SLC6A4 (0.52) OPRM1SLC6A4SLC6A3PDE4APDE4B
SCHEMBL14441335 0.82 SLC6A4 (0.52) OPRM1SLC6A4SLC6A3PDE4APDE4B
SCHEMBL11073259 0.81 OPRM1 (0.57) OPRM1PDE4APDE4BPDE4CPDE4D
SCHEMBL31441136 0.81 OPRM1 (0.65) OPRM1SLC6A4SLC6A3OPRL1SLC6A2
SCHEMBL626042 0.81 OPRM1 (0.65) OPRM1SLC6A4SLC6A3OPRL1SLC6A2
SCHEMBL4429705 0.79 PDE4A (0.44) OPRM1SLC6A4SLC6A3PDE4APDE4B

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 27 patents — showing the first 20. 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-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
US-9868718-B2 Cycloalkylamines as monoamine reuptake inhibitors SUNOVION PHARMACEUTICALS INC. (US) 2018-01-16 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-20150126511-A1 CYCLOALKYLAMINES AS MONOAMINE REUPTAKE INHIBITORS SUNOVION PHARMACEUTICALS INC. 2015-05-07 US 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-20070203111-A1 Cycloalkylamines as monoamine reuptake inhibitors SEPRACOR INC. (US) 2007-08-30 US disclosed
US-20070203111-A1 Cycloalkylamines as monoamine reuptake inhibitors SEPRACOR INC. (US) 2007-08-30 US 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
EP-1414813-A1 1,2,4-TRIOXOLANE ANTIMALARIALS Medicines for Malaria Venture (CH) 2004-05-06 EP disclosed
WO-2003000676-A1 1,2,4-TRIOXOLANE ANTIMALARIALS MEDICINES FOR MALARIA VENTURE (CH) 2003-01-03 WO disclosed
US-6486199-B1 Spiro and dispiro 1,2,4-trioxolane antimalarials MEDICINES FOR MALARIA VENTURE MMV INTERNATIONAL CENTRE COINTRIN (CH) 2002-11-26 US disclosed
US-4460604-A ANALGESICS, NARCOTIC ANTAGONIST THE UPJOHN COMPANY (US) 1984-07-17 US disclosed
US-4180584-A ANALGESIC; NARCOTIC ANTAGONIST THE UPJOHN COMPANY (US) 1979-12-25 US disclosed
US-4065573-A ANALGESICS THE UPJOHN COMPANY (US) 1977-12-27 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 (3 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 OPRM1 185/4885SLC6A4 5/4885SLC6A3 4/4885
US-20070203111-A1 Cycloalkylamines as monoamine reuptake inhibitors SLC18A2, SLC6A2, SLC18A3 OPRM1 185/4885SLC6A4 5/4885SLC6A3 4/4885
US-10562878-B2 Cycloalkylamines as monoamine reuptake inhibitors SLC18A2, SLC6A2, SLC18A3 OPRM1 185/4885SLC6A4 5/4885SLC6A3 4/4885

“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.