SCHEMBL965397

SCHEMBL965397

CCOC[C@H](Oc1cccc(Cl)c1C(F)(F)F)C1CCNC1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 17/20 0.43
▸ SLC6A4 P31645 17/20 0.43
▸ SLC6A3 Q01959 16/20 0.43
▸ CYP2D6 P10635 3/20 0.43
▸ KCNH2 Q12809 2/20 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
SCHEMBL935116 1.00 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL965395 1.00 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL935115 1.00 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL935639 0.89 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL963583 0.89 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL935590 0.89 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL963585 0.89 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL959221 0.89 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL935641 0.89 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL934965 0.89 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2

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 2/4885SLC6A3 6/4885
US-20130237581-A1 3-PHENOXYMETHYLPYRROLIDINE COMPOUNDS HTR6, SLC6A4, SLC6A2 SLC6A2 3/4885SLC6A4 2/4885SLC6A3 6/4885
US-20120309985-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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