SCHEMBL10077331

SCHEMBL10077331

NC1(c2ccc(Cl)c(Cl)c2)CCCC1

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 15/20 0.59
SLC6A3 Q01959 14/20 0.59
SLC6A2 P23975 10/20 0.58
KCNH2 Q12809 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
SCHEMBL18769587 0.96 SLC6A4 (0.59) SLC6A4SLC6A3SLC6A2
Hydrochloric Acid SCHEMBL18742610 0.94 SLC6A4 (0.58) SLC6A4SLC6A3SLC6A2KCNH2
SCHEMBL3849372 0.91 SLC6A4 (0.53) SLC6A4SLC6A3SLC6A2
SCHEMBL16649648 0.82 SLC6A4 (0.53) SLC6A4SLC6A3SLC6A2
SCHEMBL12497571 0.80 OPRM1 (0.59) SLC6A4SLC6A3SLC6A2KCNH2
SCHEMBL18769437 0.79 SLC6A3 (0.57) SLC6A4SLC6A3SLC6A2
Hydrochloric Acid SCHEMBL18742787 0.77 SLC6A3 (0.55) SLC6A4SLC6A3SLC6A2
SCHEMBL8478708 0.76 SLC6A4 (0.53) SLC6A4SLC6A3
SCHEMBL3519636 0.75 SLC6A3 (1.00) SLC6A4SLC6A3SLC6A2
Hydrochloric Acid SCHEMBL18662772 0.74 SLC6A4 (0.52) SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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

“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.