SCHEMBL1054116

SCHEMBL1054116

CC(C)C[C@H](Oc1cccc(C(F)(F)F)c1F)C1CCNC1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 19/20 0.51
▸ SLC6A4 P31645 19/20 0.51
▸ SLC6A3 Q01959 9/20 0.44
▸ KCNH2 Q12809 1/20 0.39

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
SCHEMBL1054112 1.00 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL953311 1.00 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL954100 0.88 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL935753 0.88 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL935752 0.88 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL965663 0.86 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL965664 0.86 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL1061292 0.84 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL935424 0.84 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL935422 0.84 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3KCNH2

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 SLC6A2 3/4885SLC6A4 2/4885SLC6A3 6/4885
US-20110009465-A1 3-PHENOXYMETHYLPYRROLIDINE COMPOUNDS HTR6, SLC6A4, SLC6A2 SLC6A2 3/4885SLC6A4 2/4885SLC6A3 6/4885
US-20110257243-A1 3-PHENOXYMETHYLPYRROLIDINE COMPOUNDS HTR6, SLC6A4, SLC6A2 SLC6A2 3/4885SLC6A4 2/4885SLC6A3 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.

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