SCHEMBL617812

SCHEMBL617812

CC(C)C[C@@H](O)[C@H]1CCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 8/20 0.46
▸ DPP4 P27487 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ RECQL P46063 1/20 0.41
▸ EPHX1 P07099 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ EED O75530 1/20 0.41
▸ RBBP4 Q09028 1/20 0.41
▸ SUZ12 Q15022 1/20 0.41
▸ EZH2 Q15910 1/20 0.41
▸ AEBP2 Q6ZN18 1/20 0.41
▸ NR1H2 P55055 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
SCHEMBL1054870 1.00 GPR119 (0.46) GPR119DPP4HPGDALDH1A1MAPT
SCHEMBL1054863 1.00 GPR119 (0.46) GPR119DPP4HPGDALDH1A1MAPT
SCHEMBL586441 1.00 GPR119 (0.46) GPR119DPP4HPGDALDH1A1MAPT
SCHEMBL586278 1.00 GPR119 (0.46) GPR119DPP4HPGDALDH1A1MAPT
SCHEMBL1057319 1.00 GPR119 (0.46) GPR119DPP4HPGDALDH1A1MAPT
SCHEMBL20600889 0.92 HPGD (0.48) GPR119DPP4HPGDALDH1A1MAPT
SCHEMBL1054993 0.87 GPR119 (0.46) GPR119DPP4HPGDALDH1A1MAPT
SCHEMBL1054992 0.87 GPR119 (0.46) GPR119DPP4HPGDALDH1A1MAPT
SCHEMBL1058770 0.87 GPR119 (0.46) GPR119DPP4HPGDALDH1A1MAPT
SCHEMBL1058771 0.87 GPR119 (0.46) GPR119DPP4HPGDALDH1A1MAPT

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 8 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
EP-2417124-A2 SEROTONIN AND NOREPINEPHRINE REUPTAKE INHIBITOR Eli Lilly and Company (US) 2012-02-15 — — EP 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
WO-2010117979-A2 SEROTONIN AND NOREPINEPHRINE REUPTAKE INHIBITOR ELI LILLY AND COMPANY (US) 2010-10-14 — — 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-20150126577-A1 3-PHENOXYMETHYLPYRROLIDINE COMPOUNDS HTR6, SLC6A4, SLC6A2 GPR119 1219/4885DPP4 1381/4885HPGD 1449/4885
US-20110009465-A1 3-PHENOXYMETHYLPYRROLIDINE COMPOUNDS HTR6, SLC6A4, SLC6A2 GPR119 1219/4885DPP4 1381/4885HPGD 1449/4885
US-20110257243-A1 3-PHENOXYMETHYLPYRROLIDINE COMPOUNDS HTR6, SLC6A4, SLC6A2 GPR119 1219/4885DPP4 1381/4885HPGD 1449/4885

“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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