SCHEMBL2473828

SCHEMBL2473828

CN1C[C@H]2CCC[C@@]2(c2ccc(Cl)c(Cl)c2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 18/20 1.00
SLC6A3 Q01959 16/20 1.00
SLC6A2 P23975 15/20 1.00
CYP2D6 P10635 10/20 1.00
KCNH2 Q12809 6/20 1.00
CYP2C19 P33261 4/20 1.00
CYP3A4 P08684 3/20 1.00
CYP1A1 P04798 3/20 1.00
CYP1A2 P05177 3/20 1.00
CYP2C9 P11712 1/20 1.00

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
SCHEMBL2471765 1.00 SLC6A4 (1.00) SLC6A4SLC6A3SLC6A2CYP2D6KCNH2
SCHEMBL13272946 1.00 SLC6A4 (1.00) SLC6A4SLC6A3SLC6A2CYP2D6KCNH2
SCHEMBL13273208 1.00 SLC6A4 (1.00) SLC6A4SLC6A3SLC6A2CYP2D6KCNH2
SCHEMBL14889441 1.00 SLC6A4 (1.00) SLC6A4SLC6A3SLC6A2CYP2D6KCNH2
SCHEMBL19749346 1.00 SLC6A4 (1.00) SLC6A4SLC6A3SLC6A2CYP2D6KCNH2
SCHEMBL20209817 0.96 SLC6A4 (1.00) SLC6A4SLC6A3SLC6A2CYP2D6KCNH2
SCHEMBL21413970 0.96 SLC6A4 (1.00) SLC6A4SLC6A3SLC6A2CYP2D6KCNH2
SCHEMBL13273211 0.96 SLC6A4 (1.00) SLC6A4SLC6A3SLC6A2CYP2D6KCNH2
SCHEMBL2499160 0.96 SLC6A4 (1.00) SLC6A4SLC6A3SLC6A2CYP2D6KCNH2
SCHEMBL2494326 0.96 SLC6A4 (1.00) SLC6A4SLC6A3SLC6A2CYP2D6KCNH2

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10428021-B2 Triple reuptake inhibitors and methods of their use SUNOVION PHARMACEUTICALS INC. (US) 2019-10-01 US disclosed
US-10428021-B2 Triple reuptake inhibitors and methods of their use SUNOVION PHARMACEUTICALS INC. (US) 2019-10-01 US disclosed
US-20180148407-A1 TRIPLE REUPTAKE INHIBITORS AND METHODS OF THEIR USE SUNOVION PHARMACEUTICALS INC. 2018-05-31 US disclosed
US-20180148407-A1 TRIPLE REUPTAKE INHIBITORS AND METHODS OF THEIR USE SUNOVION PHARMACEUTICALS INC. 2018-05-31 US disclosed
US-20180148407-A1 TRIPLE REUPTAKE INHIBITORS AND METHODS OF THEIR USE SUNOVION PHARMACEUTICALS INC. 2018-05-31 US disclosed
US-9850204-B2 Triple reuptake inhibitors and methods of their use SUNOVION PHARMACEUTICALS INC. (US) 2017-12-26 US disclosed
US-9850204-B2 Triple reuptake inhibitors and methods of their use SUNOVION PHARMACEUTICALS INC. (US) 2017-12-26 US disclosed
US-9850204-B2 Triple reuptake inhibitors and methods of their use SUNOVION PHARMACEUTICALS INC. (US) 2017-12-26 US disclosed
US-20160221947-A1 TRIPLE REUPTAKE INHIBITORS AND METHODS OF THEIR USE SUNOVION PHARMACEUTICALS INC. 2016-08-04 US disclosed
US-20160221947-A1 TRIPLE REUPTAKE INHIBITORS AND METHODS OF THEIR USE SUNOVION PHARMACEUTICALS INC. 2016-08-04 US disclosed
US-20140107175-A1 TRIPLE REUPTAKE INHIBITORS AND METHODS OF THEIR USE SUNOVION PHARMACEUTICALS INC. (US) 2014-04-17 US disclosed
US-8592608-B2 Triple reuptake inhibitors and methods of their use SUNOVION PHARMACEUTICALS INC. (US) 2013-11-26 US disclosed
EP-2370405-B1 TRIPLE REUPTAKE INHIBITORS AND METHODS OF THEIR USE SUNOVION PHARMACEUTICALS INC (US) 2013-05-01 EP disclosed
EP-2370405-B1 TRIPLE REUPTAKE INHIBITORS AND METHODS OF THEIR USE SUNOVION PHARMACEUTICALS INC (US) 2013-05-01 EP disclosed
US-20110313013-A1 TRIPLE REUPTAKE INHIBITORS AND METHODS OF THEIR USE SUNOVION PHARMACEUTICALS INC. 2011-12-22 US disclosed
US-20110313013-A1 TRIPLE REUPTAKE INHIBITORS AND METHODS OF THEIR USE SUNOVION PHARMACEUTICALS INC. 2011-12-22 US disclosed
US-20110313013-A1 TRIPLE REUPTAKE INHIBITORS AND METHODS OF THEIR USE SUNOVION PHARMACEUTICALS INC. 2011-12-22 US disclosed
EP-2370405-A1 TRIPLE REUPTAKE INHIBITORS AND METHODS OF THEIR USE Sunovion Pharmaceuticals Inc. (US) 2011-10-05 EP disclosed
WO-2010075064-A1 TRIPLE REUPTAKE INHIBITORS AND METHODS OF THEIR USE SEPRACOR INC. (US) 2010-07-01 WO disclosed
WO-2010075064-A1 TRIPLE REUPTAKE INHIBITORS AND METHODS OF THEIR USE SEPRACOR INC. (US) 2010-07-01 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 (5 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-10428021-B2 Triple reuptake inhibitors and methods of their use SLC18A2, SLC6A2, SLC18A3 SLC6A4 4/4885SLC6A3 5/4885SLC6A2 2/4885
US-20180148407-A1 TRIPLE REUPTAKE INHIBITORS AND METHODS OF THEIR USE SLC18A2, SLC6A2, SLC18A3 SLC6A4 4/4885SLC6A3 5/4885SLC6A2 2/4885
US-20140107175-A1 TRIPLE REUPTAKE INHIBITORS AND METHODS OF THEIR USE SLC18A2, SLC6A2, SLC18A3 SLC6A4 5/4885SLC6A3 4/4885SLC6A2 2/4885
US-20160221947-A1 TRIPLE REUPTAKE INHIBITORS AND METHODS OF THEIR USE SLC18A2, SLC6A2, SLC18A3 SLC6A4 4/4885SLC6A3 5/4885SLC6A2 2/4885
US-20110313013-A1 TRIPLE REUPTAKE INHIBITORS AND METHODS OF THEIR USE SLC18A2, SLC6A2, SLC18A3 SLC6A4 4/4885SLC6A3 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.