SCHEMBL1060487

SCHEMBL1060487

CC[C@@H](Oc1ccc(Cl)cc1Cl)[C@H]1CCNC1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 20/20 0.61
SLC6A2 P23975 17/20 0.61
SLC6A3 Q01959 14/20 0.61
CYP2D6 P10635 4/20 0.49

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
SCHEMBL935159 1.00 SLC6A4 (0.61) SLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL20041876 1.00 SLC6A4 (0.61) SLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL1059566 1.00 SLC6A4 (0.61) SLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL16681256 1.00 SLC6A4 (0.61) SLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL1059564 1.00 SLC6A4 (0.61) SLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL935160 1.00 SLC6A4 (0.61) SLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL1060896 0.90 SLC6A4 (0.62) SLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL1059086 0.90 SLC6A4 (0.62) SLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL934097 0.90 SLC6A4 (0.62) SLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL1061003 0.90 SLC6A4 (0.62) SLC6A4SLC6A2SLC6A3CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2454234-B1 3-PHENOXYMETHYLPYRROLIDINE COMPOUNDS THERAVANCE BIOPHARMA R&D IP LLC (US) 2018-04-11 EP disclosed
US-9227933-B2 3-phenoxymethylpyrrolidine compounds THERAVANCE BIOPHARMA R&D IP, LLC (US) 2016-01-05 US disclosed
US-20150126577-A1 3-PHENOXYMETHYLPYRROLIDINE COMPOUNDS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-05-07 US disclosed
US-20110257243-A1 3-PHENOXYMETHYLPYRROLIDINE COMPOUNDS THERAVANCE, INC. (US) 2011-10-20 US disclosed
US-7994209-B2 3-phenoxymethylpyrrolidine compounds THERAVANCE, INC. (US) 2011-08-09 US disclosed
US-20110009465-A1 3-PHENOXYMETHYLPYRROLIDINE COMPOUNDS THERAVANCE BIOPHARMA R&D IP, LLC 2011-01-13 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-20150126577-A1 3-PHENOXYMETHYLPYRROLIDINE COMPOUNDS HTR6, SLC6A4, SLC6A2 SLC6A4 2/4885SLC6A2 3/4885SLC6A3 6/4885
US-20110009465-A1 3-PHENOXYMETHYLPYRROLIDINE COMPOUNDS HTR6, SLC6A4, SLC6A2 SLC6A4 2/4885SLC6A2 3/4885SLC6A3 6/4885
US-20110257243-A1 3-PHENOXYMETHYLPYRROLIDINE COMPOUNDS HTR6, SLC6A4, SLC6A2 SLC6A4 2/4885SLC6A2 3/4885SLC6A3 6/4885

“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.