SCHEMBL1054927

SCHEMBL1054927

Fc1cc(Cl)cc(OC2(CC3CCNC3)CC2)c1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 8/20 0.33
▸ SLC6A4 P31645 8/20 0.33
▸ SLC6A3 Q01959 6/20 0.33
▸ HTR2C P28335 2/20 0.33
▸ HTR2B P41595 2/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ CYP2D6 P10635 2/20 0.33
▸ CHRM3 P20309 4/20 0.32
▸ CHRM2 P08172 1/20 0.31
▸ CHRM1 P11229 1/20 0.31
▸ HTR6 P50406 1/20 0.31
▸ FFAR4 Q5NUL3 1/20 0.31
▸ HTR1A P08908 1/20 0.30
▸ CHRNB2 P17787 1/20 0.30
▸ CHRNA4 P43681 1/20 0.30

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
SCHEMBL1059826 0.85 EED (0.36) SLC6A2SLC6A4SLC6A3HTR2CHTR2B
SCHEMBL1054969 0.82 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3CYP2D6CHRM1
SCHEMBL935386 0.81 SOS1 (0.39) SLC6A2SLC6A4SLC6A3HTR2CHTR2B
SCHEMBL1057611 0.81 HTR3A (0.41) SLC6A2SLC6A4SLC6A3HTR2CHTR2B
SCHEMBL1054193 0.81 SLC6A4 (0.44) SLC6A2SLC6A4SLC6A3HTR2CHTR2B
SCHEMBL1057574 0.80 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3HTR2CHTR2B
SCHEMBL1057615 0.79 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL1060609 0.77 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3HTR2CHTR2B
SCHEMBL1054990 0.77 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3HTR2CHTR2B
SCHEMBL936018 0.76 HTR3A (0.43) 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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