SCHEMBL967337

SCHEMBL967337

CCSC[C@H](Oc1ccc(C(F)(F)F)cc1)C1CCNC1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 9/20 0.55
SLC6A4 P31645 9/20 0.55
HRH3 Q9Y5N1 3/20 0.38
HRH1 P35367 2/20 0.38
HRH4 Q9H3N8 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
SLC6A3 Q01959 3/20 0.37
HTR2C P28335 2/20 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
SCHEMBL967335 1.00 SLC6A2 (0.55) SLC6A2SLC6A4HRH3HRH1HRH4
SCHEMBL963724 0.87 SLC6A4 (0.43) SLC6A2SLC6A4CYP2D6SLC6A3HTR2C
SCHEMBL963722 0.87 SLC6A4 (0.43) SLC6A2SLC6A4CYP2D6SLC6A3HTR2C
SCHEMBL1057454 0.87 SLC6A2 (0.60) SLC6A2SLC6A4SLC6A3HTR2C
SCHEMBL1057456 0.87 SLC6A2 (0.60) SLC6A2SLC6A4SLC6A3HTR2C
SCHEMBL934704 0.84 SLC6A4 (0.58) SLC6A2SLC6A4SLC6A3HTR2C
SCHEMBL935461 0.84 SLC6A4 (0.58) SLC6A2SLC6A4SLC6A3HTR2C
SCHEMBL934676 0.84 SLC6A4 (0.58) SLC6A2SLC6A4SLC6A3HTR2C
SCHEMBL961724 0.84 SLC6A2 (0.52) SLC6A2SLC6A4CYP2D6SLC6A3HTR2C
SCHEMBL934674 0.84 SLC6A4 (0.58) SLC6A2SLC6A4SLC6A3HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8853255-B2 3-phenoxymethylpyrrolidine compounds THERAVANCE BIOPHARMA R&D IP, LLC (US) 2014-10-07 US disclosed
EP-2456436-B1 3-PHENOXYMETHYLPYRROLIDINE COMPOUNDS THERAVANCE INC (US) 2014-06-25 EP disclosed
US-20130237581-A1 3-PHENOXYMETHYLPYRROLIDINE COMPOUNDS THERAVANCE, INC. (US) 2013-09-12 US disclosed
US-8455665-B2 3-phenoxymethylpyrrolidine compounds THERAVANCE, INC. (US) 2013-06-04 US disclosed
US-20120309985-A1 3-PHENOXYMETHYLPYRROLIDINE COMPOUNDS THERAVANCE, INC. (US) 2012-12-06 US disclosed
US-8273786-B2 3-phenoxymethylpyrrolidine compounds THERAVANCE, INC. (US) 2012-09-25 US disclosed
US-20110021597-A1 3-PHENOXYMETHYLPYRROLIDINE COMPOUNDS THERAVANCE BIOPHARMA R&D IP, LLC 2011-01-27 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-20110021597-A1 3-PHENOXYMETHYLPYRROLIDINE COMPOUNDS HTR6, SLC6A4, SLC6A2 SLC6A2 3/4885SLC6A4 2/4885HRH3 154/4885
US-20130237581-A1 3-PHENOXYMETHYLPYRROLIDINE COMPOUNDS HTR6, SLC6A4, SLC6A2 SLC6A2 3/4885SLC6A4 2/4885HRH3 154/4885
US-20120309985-A1 3-PHENOXYMETHYLPYRROLIDINE COMPOUNDS HTR6, SLC6A4, SLC6A2 SLC6A2 3/4885SLC6A4 2/4885HRH3 154/4885

“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.