SCHEMBL962607

SCHEMBL962607

CC(C)(C)OC(=O)N1CC[C@H]([C@H](O)COCc2ccccc2)C1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.55
JAK2 O60674 1/20 0.50
JAK1 P23458 1/20 0.50
STS P08842 1/20 0.47
PRMT5 O14744 1/20 0.46
WDR77 Q9BQA1 1/20 0.46
YAP1 P46937 2/20 0.45
KDM4E B2RXH2 1/20 0.45
PKM P14618 1/20 0.45
USP30 Q70CQ3 2/20 0.44
IDO1 P14902 3/20 0.44
GAA P10253 1/20 0.43
THRB P10828 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL962609 1.00 GPR119 (0.55) GPR119JAK2JAK1STSPRMT5
SCHEMBL25503496 0.84 GPR119 (0.57) GPR119JAK2JAK1STSPRMT5
SCHEMBL22284215 0.84 GPR119 (0.54) GPR119JAK2JAK1STSYAP1
SCHEMBL3580922 0.83 GPR119 (0.56) GPR119JAK2JAK1STSYAP1
SCHEMBL962183 0.82 GPR119 (0.42) GPR119PRMT5WDR77IDO1
SCHEMBL962181 0.82 GPR119 (0.42) GPR119PRMT5WDR77IDO1
SCHEMBL14121655 0.82 GPR119 (0.42) GPR119PRMT5WDR77IDO1
SCHEMBL27043883 0.82 PRMT5 (0.62) GPR119JAK2JAK1STSPRMT5
SCHEMBL22559199 0.81 GPR119 (0.45) GPR119JAK2JAK1STSPRMT5
SCHEMBL14406041 0.80 KDM4E (0.53) GPR119JAK2JAK1STSPRMT5

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 20 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-8637568-B2 Serotonin reuptake inhibitors THERAVANCE, INC. (US) 2014-01-28 US disclosed
US-8637568-B2 Serotonin reuptake inhibitors THERAVANCE, INC. (US) 2014-01-28 US disclosed
US-8637568-B2 Serotonin reuptake inhibitors THERAVANCE, INC. (US) 2014-01-28 US disclosed
US-20130296322-A1 SEROTONIN REUPTAKE INHIBITORS THERAVANCE, INC. (US) 2013-11-07 US disclosed
US-20130296322-A1 SEROTONIN REUPTAKE INHIBITORS THERAVANCE, INC. (US) 2013-11-07 US disclosed
US-20130296322-A1 SEROTONIN REUPTAKE INHIBITORS THERAVANCE, INC. (US) 2013-11-07 US disclosed
US-20130237581-A1 3-PHENOXYMETHYLPYRROLIDINE COMPOUNDS THERAVANCE, INC. (US) 2013-09-12 US disclosed
US-8501964-B2 Serotonin reuptake inhibitors THERAVANCE, INC. (US) 2013-08-06 US disclosed
US-8501964-B2 Serotonin reuptake inhibitors THERAVANCE, INC. (US) 2013-08-06 US disclosed
US-8501964-B2 Serotonin reuptake inhibitors THERAVANCE, INC. (US) 2013-08-06 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
WO-2012075239-A1 SEROTONIN REUPTAKE INHIBITORS THERAVANCE, INC. (US) 2012-06-07 WO disclosed
US-20120142689-A1 SEROTONIN REUPTAKE INHIBITORS THERAVANCE, INC. (US) 2012-06-07 US disclosed
US-20120142689-A1 SEROTONIN REUPTAKE INHIBITORS THERAVANCE, INC. (US) 2012-06-07 US disclosed
US-20120142689-A1 SEROTONIN REUPTAKE INHIBITORS THERAVANCE, INC. (US) 2012-06-07 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 (5 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 1219/4885JAK2 428/4885JAK1 1130/4885
US-20120142689-A1 SEROTONIN REUPTAKE INHIBITORS SLC6A4, SLC6A2, TPH1 GPR119 619/4885JAK2 699/4885JAK1 576/4885
US-20130296322-A1 SEROTONIN REUPTAKE INHIBITORS SLC6A4, SLC6A2, TPH1 GPR119 619/4885JAK2 699/4885JAK1 576/4885
US-20130237581-A1 3-PHENOXYMETHYLPYRROLIDINE COMPOUNDS HTR6, SLC6A4, SLC6A2 GPR119 1219/4885JAK2 428/4885JAK1 1130/4885
US-20120309985-A1 3-PHENOXYMETHYLPYRROLIDINE COMPOUNDS HTR6, SLC6A4, SLC6A2 GPR119 1219/4885JAK2 428/4885JAK1 1130/4885

“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.