SCHEMBL10052508

SCHEMBL10052508

CO[C@]1(C)CC[C@@](c2ccc(Cl)c(Cl)c2)([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 6/20 0.40
▸ SLC6A2 P23975 6/20 0.40
▸ SLC6A4 P31645 6/20 0.40
▸ SLC6A3 Q01959 6/20 0.40
▸ KCNH2 Q12809 6/20 0.40
▸ CYP2C19 P33261 4/20 0.40
▸ CYP3A4 P08684 3/20 0.40
▸ CYP1A1 P04798 3/20 0.40
▸ CYP1A2 P05177 3/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CCR5 P51681 4/20 0.40
▸ STS P08842 1/20 0.38
▸ PDE4B Q07343 1/20 0.38
▸ CTSD P07339 1/20 0.36
▸ CTSE P14091 1/20 0.36
▸ BACE1 P56817 1/20 0.36

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
SCHEMBL10052511 1.00 CYP2D6 (0.40) CYP2D6SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL7905786 1.00 CYP2D6 (0.40) CYP2D6SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL7895535 1.00 CYP2D6 (0.40) CYP2D6SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL7901809 0.90 SLC6A2 (0.42) CYP2D6SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL10052509 0.90 SLC6A2 (0.42) CYP2D6SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL7901424 0.90 SLC6A2 (0.42) CYP2D6SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL7903460 0.90 SLC6A2 (0.42) CYP2D6SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL10052502 0.90 SLC6A2 (0.42) CYP2D6SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL14983877 0.89 SLC6A4 (0.51) CYP2D6SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL10052521 0.89 SLC6A4 (0.51) CYP2D6SLC6A2SLC6A4SLC6A3KCNH2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9505716-B2 Pyrrolidine triple reuptake inhibitors SUNOVION PHARMACEUTICALS INC. (US) 2016-11-29 — — US disclosed
US-20160115123-A1 PYRROLIDINE TRIPLE REUPTAKE INHIBITORS SUNOVION PHARMACEUTICALS INC. 2016-04-28 — — US disclosed
US-9056830-B2 Pyrrolidine triple reuptake inhibitors SUNOVION PHARMACEUTICALS INC. (US) 2015-06-16 — — US disclosed
US-8754117-B2 Pyrrolidine triple reuptake inhibitors SUNOVION PHARMACEUTICALS INC. (US) 2014-06-17 — — US disclosed
US-20140073682-A1 PYRROLIDINE TRIPLE REUPTAKE INHIBITORS SUNOVION PHARMACEUTICALS INC. (US) 2014-03-13 — — US disclosed
US-20130137744-A1 PYRROLIDINE TRIPLE REUPTAKE INHIBITORS SUNOVION PHARMACEUTICAL INC. (US) 2013-05-30 — — US disclosed
US-8389559-B2 Pyrrolidine triple reuptake inhibitors SUNOVION PHARMACEUTICALS INC. (US) 2013-03-05 — — US disclosed
US-20120022125-A1 PYRROLIDINE TRIPLE REUPTAKE INHIBITORS SUNOVION PHARMACEUTICALS INC. 2012-01-26 — — 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-20120022125-A1 PYRROLIDINE TRIPLE REUPTAKE INHIBITORS SLC18A2, SLC6A2, SLC6A3 CYP2D6 658/4885SLC6A2 2/4885SLC6A4 4/4885
US-20140073682-A1 PYRROLIDINE TRIPLE REUPTAKE INHIBITORS SLC18A2, SLC6A2, SLC6A3 CYP2D6 658/4885SLC6A2 2/4885SLC6A4 4/4885
US-20160115123-A1 PYRROLIDINE TRIPLE REUPTAKE INHIBITORS SLC18A2, SLC6A2, SLC6A3 CYP2D6 658/4885SLC6A2 2/4885SLC6A4 4/4885
US-20130137744-A1 PYRROLIDINE TRIPLE REUPTAKE INHIBITORS SLC18A2, SLC6A2, SLC6A3 CYP2D6 658/4885SLC6A2 2/4885SLC6A4 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.

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