SCHEMBL963598

SCHEMBL963598

CC(C)OC[C@H](O)C1CCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 10/20 0.45
EED O75530 1/20 0.42
RBBP4 Q09028 1/20 0.42
SUZ12 Q15022 1/20 0.42
EZH2 Q15910 1/20 0.42
AEBP2 Q6ZN18 1/20 0.42
DPP4 P27487 1/20 0.42
HPGD P15428 1/20 0.42
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41
RECQL P46063 1/20 0.40
NPC1 O15118 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL963596 1.00 GPR119 (0.45) GPR119EEDRBBP4SUZ12EZH2
SCHEMBL962170 0.88 GPR119 (0.43) GPR119EEDRBBP4SUZ12EZH2
SCHEMBL963115 0.88 GPR119 (0.43) GPR119EEDRBBP4SUZ12EZH2
SCHEMBL963116 0.88 GPR119 (0.43) GPR119EEDRBBP4SUZ12EZH2
SCHEMBL962169 0.88 GPR119 (0.43) GPR119EEDRBBP4SUZ12EZH2
SCHEMBL962183 0.86 GPR119 (0.42) GPR119EEDRBBP4SUZ12EZH2
SCHEMBL962181 0.86 GPR119 (0.42) GPR119EEDRBBP4SUZ12EZH2
SCHEMBL14121655 0.86 GPR119 (0.42) GPR119EEDRBBP4SUZ12EZH2
SCHEMBL1054993 0.86 GPR119 (0.46) GPR119EEDRBBP4SUZ12EZH2
SCHEMBL1054992 0.86 GPR119 (0.46) GPR119EEDRBBP4SUZ12EZH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8853255-B2 3-phenoxymethylpyrrolidine compounds THERAVANCE BIOPHARMA R&D IP, LLC (US) 2014-10-07 US disclosed
EP-2456436-B1 3-PHENOXYMETHYLPYRROLIDINE COMPOUNDS THERAVANCE INC (US) 2014-06-25 EP disclosed
US-20130237581-A1 3-PHENOXYMETHYLPYRROLIDINE COMPOUNDS THERAVANCE, INC. (US) 2013-09-12 US disclosed
US-8455665-B2 3-phenoxymethylpyrrolidine compounds THERAVANCE, INC. (US) 2013-06-04 US disclosed
US-20120309985-A1 3-PHENOXYMETHYLPYRROLIDINE COMPOUNDS THERAVANCE, INC. (US) 2012-12-06 US disclosed
US-8273786-B2 3-phenoxymethylpyrrolidine compounds THERAVANCE, INC. (US) 2012-09-25 US disclosed
US-20110021597-A1 3-PHENOXYMETHYLPYRROLIDINE COMPOUNDS THERAVANCE BIOPHARMA R&D IP, LLC 2011-01-27 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-20110021597-A1 3-PHENOXYMETHYLPYRROLIDINE COMPOUNDS HTR6, SLC6A4, SLC6A2 GPR119 1219/4885EED 2111/4885RBBP4 2716/4885
US-20130237581-A1 3-PHENOXYMETHYLPYRROLIDINE COMPOUNDS HTR6, SLC6A4, SLC6A2 GPR119 1219/4885EED 2111/4885RBBP4 2716/4885
US-20120309985-A1 3-PHENOXYMETHYLPYRROLIDINE COMPOUNDS HTR6, SLC6A4, SLC6A2 GPR119 1219/4885EED 2111/4885RBBP4 2716/4885

“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.