Sugi Predict

Sugi Predict / Compounds / SCHEMBL2969130

SCHEMBL2969130

SCHEMBL2969130

C=CCOC(=O)N1CCC(O)C1.CC(C)(C)OC(=O)N1CC[C@@H](O)C1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.41
▸ MAPT P10636 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ RECQL P46063 1/20 0.39
▸ EPHX1 P07099 1/20 0.39
▸ NR1H2 P55055 1/20 0.39
▸ CHRM2 P08172 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ CHRM3 P20309 1/20 0.38
▸ GPR119 Q8TDV5 2/20 0.37
▸ JAK2 O60674 1/20 0.37
▸ JAK1 P23458 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ DPP4 P27487 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ THRB P10828 1/20 0.36

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
SCHEMBL6402328 0.89 GPR119 (0.38) ALDH1A1CHRM1GPR119DPP4THRB
SCHEMBL8864939 0.89 GPR119 (0.38) ALDH1A1CHRM1GPR119DPP4THRB
SCHEMBL8865061 0.89 GPR119 (0.38) ALDH1A1CHRM1GPR119DPP4THRB
SCHEMBL241055 0.84 HPGD (0.53) HPGDMAPTMEN1ALDH1A1KMT2A
SCHEMBL14431 0.84 HPGD (0.53) HPGDMAPTMEN1ALDH1A1KMT2A
SCHEMBL14494 0.84 HPGD (0.53) HPGDMAPTMEN1ALDH1A1KMT2A
SCHEMBL10072933 0.83 USP2 (0.49) HPGDMAPTMEN1ALDH1A1KMT2A
SCHEMBL29433963 0.83 HPGD (0.51) HPGDMAPTMEN1ALDH1A1KMT2A
Hydroxyamine SCHEMBL28087664 0.81 HPGD (0.50) HPGDMAPTMEN1ALDH1A1KMT2A
SCHEMBL31555738 0.81 MEN1 (0.46) HPGDMAPTMEN1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1950198-B1 PROCESS FOR PRODUCTION OF BENZYLOXYPYRROLIDINE DERIVATIVE, AND PROCESS FOR PRODUCTION OF HYDROCHLORIDE SALT POWDER OF OPTICALLY ACTIVE BENZYLOXYPYRROLIDINE DERIVATIVE TORAY FINECHEMICALS CO LTD (JP) 2014-08-06 — — EP disclosed
US-7772406-B2 Process for production of benzyloxypyrrolidine derivative, and process for production of hydrochloride salt powder of optically active benzyloxypyrrolidine derivative TORAY FINE CHEMICALS CO., LTD. (JP) 2010-08-10 — — US disclosed
US-20090093643-A1 Process for Production of Benzyloxypyrrolidine Derivative, and Process for Production of Hydrochloride Salt Powder of Optically Active Benzyloxypyrrolidine Derivative TORAY FINE CHEMICALS CO., LTD. (JP) 2009-04-09 — — US disclosed
EP-1950198-A1 PROCESS FOR PRODUCTION OF BENZYLOXYPYRROLIDINE DERIVATIVE, AND PROCESS FOR PRODUCTION OF HYDROCHLORIDE SALT POWDER OF OPTICALLY ACTIVE BENZYLOXYPYRROLIDINE DERIVATIVE Toray Fine Chemicals Co., Ltd. (JP) 2008-07-30 — — EP 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 (1 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-20090093643-A1 Process for Production of Benzyloxypyrrolidine Derivative, and Process for Production of Hydrochloride Salt Powder of Optically Active Benzyloxypyrrolidine Derivative HPD, PAH, DHPS HPGD 135/4885MAPT 1434/4885MEN1 3687/4885

“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.