SCHEMBL1060181

SCHEMBL1060181

CC(=O)c1ccccc1OC(C1CCCCC1)[C@H]1CCNC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 1/20 0.44
▸ ADRA2B P18089 1/20 0.44
▸ ADRA2C P18825 1/20 0.44
▸ POLB P06746 1/20 0.43
▸ SLC6A2 P23975 16/20 0.43
▸ SLC6A4 P31645 16/20 0.43
▸ SLC6A3 Q01959 11/20 0.43
▸ KCNH2 Q12809 3/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ DDB1 Q16531 1/20 0.39
▸ CRBN Q96SW2 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
SCHEMBL1060186 1.00 ADRA2A (0.44) ADRA2AADRA2BADRA2CPOLBSLC6A2
SCHEMBL1060183 1.00 ADRA2A (0.44) ADRA2AADRA2BADRA2CPOLBSLC6A2
SCHEMBL1060180 1.00 ADRA2A (0.44) ADRA2AADRA2BADRA2CPOLBSLC6A2
SCHEMBL934627 0.82 SLC6A2 (0.62) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL1060445 0.80 SLC6A2 (0.62) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL1060446 0.80 SLC6A2 (0.62) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL1060447 0.80 SLC6A2 (0.62) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL15259815 0.79 SLC6A2 (0.69) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL15259814 0.79 SLC6A2 (0.69) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL15259817 0.79 SLC6A2 (0.69) SLC6A2SLC6A4SLC6A3CYP2D6

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 ADRA2A 64/4885ADRA2B 74/4885ADRA2C 17/4885
US-20110009465-A1 3-PHENOXYMETHYLPYRROLIDINE COMPOUNDS HTR6, SLC6A4, SLC6A2 ADRA2A 64/4885ADRA2B 74/4885ADRA2C 17/4885
US-20110257243-A1 3-PHENOXYMETHYLPYRROLIDINE COMPOUNDS HTR6, SLC6A4, SLC6A2 ADRA2A 64/4885ADRA2B 74/4885ADRA2C 17/4885

“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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