SCHEMBL1054009

SCHEMBL1054009

CCC[C@@H](Oc1cccc(Cl)c1Cl)[C@H]1CCNC1

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 20/20 0.63
SLC6A2 P23975 19/20 0.63
SLC6A3 Q01959 19/20 0.63
CYP2D6 P10635 6/20 0.63
KCNH2 Q12809 4/20 0.57

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
SCHEMBL1054011 1.00 SLC6A4 (0.63) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL935191 1.00 SLC6A4 (0.63) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL1054008 1.00 SLC6A4 (0.63) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL935193 1.00 SLC6A4 (0.63) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL20042010 1.00 SLC6A4 (0.63) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL1058692 1.00 SLC6A4 (0.63) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL1059685 0.93 SLC6A4 (0.61) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL1059684 0.93 SLC6A4 (0.61) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL1059527 0.90 SLC6A2 (0.63) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL1057195 0.90 SLC6A4 (0.62) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2

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
EP-2454234-B1 3-PHENOXYMETHYLPYRROLIDINE COMPOUNDS THERAVANCE BIOPHARMA R&D IP LLC (US) 2018-04-11 EP disclosed
CN-105254552-A 3-PHENOXYMETHYLPYRROLIDINE COMPOUNDS THERAVANCE INC 2016-01-20 CN 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.