SCHEMBL1155985

SCHEMBL1155985

c1ccc(Oc2ccccc2CC2CCNC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 15/20 0.53
SLC6A4 P31645 15/20 0.53
SLC6A3 Q01959 11/20 0.53
CYP2D6 P10635 4/20 0.50
HTR1A P08908 3/20 0.50
KCNH2 Q12809 5/20 0.48
HRH1 P35367 1/20 0.44
EED O75530 3/20 0.43
RIPK1 Q13546 1/20 0.43

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
SCHEMBL3890473 0.93 EED (0.51) SLC6A2SLC6A4SLC6A3CYP2D6HTR1A
SCHEMBL7526768 0.91 SLC6A4 (0.56) SLC6A2SLC6A4SLC6A3CYP2D6HTR1A
SCHEMBL1155798 0.85 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3CYP2D6HTR1A
SCHEMBL1155825 0.83 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3HTR1AEED
SCHEMBL6925382 0.83 SLC6A4 (0.48) SLC6A2SLC6A4SLC6A3CYP2D6HTR1A
SCHEMBL634531 0.82 EED (0.48) SLC6A2SLC6A4SLC6A3CYP2D6EED
SCHEMBL6922676 0.81 SLC6A4 (0.59) SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL15259788 0.81 FAAH (0.43) SLC6A2SLC6A4SLC6A3CYP2D6EED
SCHEMBL1155843 0.81 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3CYP2D6HTR1A
SCHEMBL6923739 0.80 SLC6A4 (0.50) SLC6A2SLC6A4SLC6A3HTR1AKCNH2

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8933249-B2 3-(phenoxyphenylmethyl)pyrrolidine compounds THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-01-13 US disclosed
US-8933249-B2 3-(phenoxyphenylmethyl)pyrrolidine compounds THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-01-13 US disclosed
EP-2318362-B1 3-(PHENOXYPHENYLMETHYL)PYRROLIDINE COMPOUNDS THERAVANCE INC (US) 2013-09-25 EP disclosed
US-20130178509-A1 3-(PHENOXYPHENYLMETHYL)PYRROLIDINE COMPOUNDS THERAVANCE, INC. (US) 2013-07-11 US disclosed
US-8242164-B2 3-(phenoxyphenylmethyl)pyrrolidine compounds THERAVANCE, INC. (US) 2012-08-14 US disclosed
US-8242164-B2 3-(phenoxyphenylmethyl)pyrrolidine compounds THERAVANCE, INC. (US) 2012-08-14 US disclosed
US-20110275694-A1 3-(PHENOXYPHENYLMETHYL)PYRROLIDINE COMPOUNDS THERAVANCE, INC. (US) 2011-11-10 US disclosed
EP-2318362-A2 3-(PHENOXYPHENYLMETHYL)PYRROLIDINE COMPOUNDS Theravance, Inc. (US) 2011-05-11 EP disclosed
US-7888386-B2 3-(phenoxyphenylmethyl)pyrrolidine compounds THERAVANCE, INC. (US) 2011-02-15 US disclosed
US-7888386-B2 3-(phenoxyphenylmethyl)pyrrolidine compounds THERAVANCE, INC. (US) 2011-02-15 US disclosed
WO-2010011811-A2 3-(PHENOXYPHENYLMETHYL)PYRROLIDINE COMPOUNDS THERAVANCE, INC. (US) 2010-01-28 WO disclosed
US-20100022616-A1 3-(PHENOXYPHENYLMETHYL)PYRROLIDINE COMPOUNDS THERAVANCE BIOPHARMA R&D IP, LLC 2010-01-28 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-20130178509-A1 3-(PHENOXYPHENYLMETHYL)PYRROLIDINE COMPOUNDS HTR6, SLC6A2, SLC6A4 SLC6A2 2/4885SLC6A4 3/4885SLC6A3 4/4885
US-20110275694-A1 3-(PHENOXYPHENYLMETHYL)PYRROLIDINE COMPOUNDS HTR6, SLC6A2, SLC6A4 SLC6A2 2/4885SLC6A4 3/4885SLC6A3 4/4885
US-20100022616-A1 3-(PHENOXYPHENYLMETHYL)PYRROLIDINE COMPOUNDS HTR6, SLC6A2, SLC6A4 SLC6A2 2/4885SLC6A4 3/4885SLC6A3 4/4885

“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.