SCHEMBL407900

SCHEMBL407900

CC(C)(C)OC(=O)N1CCC(C(=O)c2ccccc2)C1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.56
PKM P14618 1/20 0.56
STS P08842 2/20 0.56
GPR119 Q8TDV5 1/20 0.55
USP30 Q70CQ3 6/20 0.55
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
HPGD P15428 1/20 0.51
PTPN2 P17706 1/20 0.51
PTPN1 P18031 1/20 0.51
PTPN6 P29350 1/20 0.51

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
SCHEMBL1156326 1.00 KDM4E (0.56) KDM4EPKMSTSGPR119USP30
SCHEMBL21848120 1.00 KDM4E (0.56) KDM4EPKMSTSGPR119USP30
SCHEMBL3325048 0.92 ALDH1A1 (0.58) KDM4EPKMGPR119USP30MEN1
SCHEMBL969044 0.92 ALDH1A1 (0.58) KDM4EPKMGPR119USP30MEN1
SCHEMBL969043 0.92 ALDH1A1 (0.58) KDM4EPKMGPR119USP30MEN1
SCHEMBL441012 0.92 KDM4E (0.62) KDM4EPKMSTSGPR119MEN1
SCHEMBL2882463 0.89 KDM4E (0.51) KDM4EPKMSTSGPR119USP30
SCHEMBL1991537 0.87 KMT2A (0.52) STSGPR119USP30MEN1KMT2A
SCHEMBL29537844 0.87 KMT2A (0.52) STSGPR119USP30MEN1KMT2A
SCHEMBL1991541 0.87 KMT2A (0.52) STSGPR119USP30MEN1KMT2A

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 33 patents — showing the first 20. 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
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
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-20130178509-A1 3-(PHENOXYPHENYLMETHYL)PYRROLIDINE COMPOUNDS THERAVANCE, INC. (US) 2013-07-11 US 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
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
US-20100022616-A1 3-(PHENOXYPHENYLMETHYL)PYRROLIDINE COMPOUNDS THERAVANCE BIOPHARMA R&D IP, LLC 2010-01-28 US disclosed
US-20100022616-A1 3-(PHENOXYPHENYLMETHYL)PYRROLIDINE COMPOUNDS THERAVANCE BIOPHARMA R&D IP, LLC 2010-01-28 US disclosed
US-20090186884-A1 such as N-(3-amino-2-hydroxypropyl)-3-(1-(2-(2-ethylphenoxy)phenyl)-1-hydroxy-5-;methoxypentyl)piperidine-1-carboxamide, used for the treatment of cardiovascular disorders VITAE PHARMACEUTICALS, INC. 2009-07-23 US disclosed
US-20090186884-A1 such as N-(3-amino-2-hydroxypropyl)-3-(1-(2-(2-ethylphenoxy)phenyl)-1-hydroxy-5-;methoxypentyl)piperidine-1-carboxamide, used for the treatment of cardiovascular disorders VITAE PHARMACEUTICALS, INC. 2009-07-23 US disclosed
US-20090186884-A1 such as N-(3-amino-2-hydroxypropyl)-3-(1-(2-(2-ethylphenoxy)phenyl)-1-hydroxy-5-;methoxypentyl)piperidine-1-carboxamide, used for the treatment of cardiovascular disorders VITAE PHARMACEUTICALS, INC. 2009-07-23 US disclosed
WO-2008011130-A2 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 WO disclosed
WO-2007117557-A2 DIAMINOPROPANOL RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 WO disclosed
WO-2007117557-A2 DIAMINOPROPANOL RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 WO 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-20090186884-A1 such as N-(3-amino-2-hydroxypropyl)-3-(1-(2-(2-ethylphenoxy)phenyl)-1-hydroxy-5-;methoxypentyl)piperidine-1-carboxamide, used for the treatment of cardiovascular disorders DNPEP, ACE, DPEP1 KDM4E 1755/4885PKM 2097/4885STS 3828/4885
US-20130178509-A1 3-(PHENOXYPHENYLMETHYL)PYRROLIDINE COMPOUNDS HTR6, SLC6A2, SLC6A4 KDM4E 667/4885PKM 394/4885STS 787/4885
US-20100022616-A1 3-(PHENOXYPHENYLMETHYL)PYRROLIDINE COMPOUNDS HTR6, SLC6A2, SLC6A4 KDM4E 667/4885PKM 394/4885STS 787/4885

“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.