SCHEMBL934702

SCHEMBL934702

CC(C)C[C@H](Oc1ccc(C(F)(F)F)cc1)[C@H]1CCNC1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 14/20 0.58
SLC6A2 P23975 13/20 0.58
SLC6A3 Q01959 4/20 0.43
HTR2C P28335 2/20 0.38

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
SCHEMBL934674 1.00 SLC6A4 (0.58) SLC6A4SLC6A2SLC6A3HTR2C
SCHEMBL934676 1.00 SLC6A4 (0.58) SLC6A4SLC6A2SLC6A3HTR2C
SCHEMBL934704 1.00 SLC6A4 (0.58) SLC6A4SLC6A2SLC6A3HTR2C
SCHEMBL935461 1.00 SLC6A4 (0.58) SLC6A4SLC6A2SLC6A3HTR2C
SCHEMBL1057456 0.87 SLC6A2 (0.60) SLC6A4SLC6A2SLC6A3HTR2C
SCHEMBL1057454 0.87 SLC6A2 (0.60) SLC6A4SLC6A2SLC6A3HTR2C
SCHEMBL934241 0.86 SLC6A2 (0.47) SLC6A4SLC6A2SLC6A3HTR2C
SCHEMBL934930 0.86 SLC6A2 (0.53) SLC6A4SLC6A2SLC6A3
SCHEMBL1060091 0.86 SLC6A2 (0.53) SLC6A4SLC6A2SLC6A3
SCHEMBL1060093 0.86 SLC6A2 (0.53) SLC6A4SLC6A2SLC6A3

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
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
EP-2454234-A2 3-PHENOXYMETHYLPYRROLIDINE COMPOUNDS Theravance, Inc. (US) 2012-05-23 EP 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
WO-2011008666-A2 3-PHENOXYMETHYLPYRROLIDINE COMPOUNDS THERAVANCE, INC. (US) 2011-01-20 WO 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.