SCHEMBL10052504

SCHEMBL10052504

O=CC1(c2ccc(Cl)c(Cl)c2)CCC2(CC1)OCCO2

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 15/20 0.53
SLC6A3 Q01959 9/20 0.53
SLC6A2 P23975 9/20 0.39
ATM Q13315 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.36
GAA P10253 2/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
POLB P06746 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL625336 0.80 SLC6A4 (0.50) SLC6A4SLC6A3SLC6A2
SCHEMBL15873672 0.80 SLC6A4 (0.50) SLC6A4SLC6A3SLC6A2
SCHEMBL15863260 0.80 SLC6A4 (0.50) SLC6A4SLC6A3SLC6A2
SCHEMBL3516295 0.79 SLC6A4 (0.51) SLC6A4SLC6A3SLC6A2
SCHEMBL3522688 0.77 SLC6A4 (0.46) SLC6A4SLC6A3SLC6A2ALDH1A1
SCHEMBL7906004 0.77 SLC6A4 (0.49) SLC6A4SLC6A3SLC6A2SMN1; SMN2GAA
SCHEMBL19772416 0.77 SLC6A4 (0.56) SLC6A4SLC6A3SLC6A2
SCHEMBL19772413 0.77 SLC6A4 (0.56) SLC6A4SLC6A3SLC6A2
SCHEMBL19767368 0.77 SLC6A4 (0.56) SLC6A4SLC6A3SLC6A2
SCHEMBL11920697 0.76 NPC1 (0.38) SLC6A4SLC6A3SLC6A2SMN1; SMN2GAA

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 16 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-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-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-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-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-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-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-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
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 SLC6A4 4/4885SLC6A3 3/4885SLC6A2 2/4885
US-20140073682-A1 PYRROLIDINE TRIPLE REUPTAKE INHIBITORS SLC18A2, SLC6A2, SLC6A3 SLC6A4 4/4885SLC6A3 3/4885SLC6A2 2/4885
US-20160115123-A1 PYRROLIDINE TRIPLE REUPTAKE INHIBITORS SLC18A2, SLC6A2, SLC6A3 SLC6A4 4/4885SLC6A3 3/4885SLC6A2 2/4885
US-20130137744-A1 PYRROLIDINE TRIPLE REUPTAKE INHIBITORS SLC18A2, SLC6A2, SLC6A3 SLC6A4 4/4885SLC6A3 3/4885SLC6A2 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.