SCHEMBL1057596

SCHEMBL1057596

Cc1cccc(Cl)c1OC1(CC2CCNC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 14/20 0.38
▸ SLC6A4 P31645 11/20 0.38
▸ SLC6A3 Q01959 9/20 0.38
▸ HTR1A P08908 6/20 0.37
▸ CYP2D6 P10635 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ KDM1A O60341 1/20 0.33
▸ IL1B P01584 1/20 0.32
▸ P2RX7 Q99572 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ HTR2C P28335 1/20 0.32
▸ HTR2B P41595 1/20 0.32

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
SCHEMBL1058268 0.83 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3HTR1ACYP2D6
SCHEMBL1058287 0.83 SLC6A2 (0.32) SLC6A2SLC6A4SLC6A3HTR1ACYP2D6
SCHEMBL935109 0.83 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3HTR1ACYP2D6
SCHEMBL1060609 0.81 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3KCNH2HTR2C
SCHEMBL1054627 0.80 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3HTR1ACYP2D6
SCHEMBL1060560 0.79 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3HTR1ACYP2D6
SCHEMBL1054322 0.78 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3KCNH2HTR2C
SCHEMBL1059163 0.78 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3HTR1ACYP2D6
SCHEMBL1061446 0.77 HTR2C (0.35) SLC6A2SLC6A4SLC6A3HTR1ACYP2D6
SCHEMBL1057574 0.76 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3HTR2CHTR2B

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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