SCHEMBL5013477

SCHEMBL5013477

COc1cc(C)ncc1CO

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 9/20 0.48
SLC6A4 P31645 9/20 0.48
SLC6A3 Q01959 7/20 0.48
DPP4 P27487 1/20 0.47
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
ALDH1A1 P00352 3/20 0.42
TSHR P16473 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GFER P55789 1/20 0.42
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
FGFR1 P11362 1/20 0.39
SRC P12931 1/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL4136184 0.82 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3ALDH1A1TSHR
SCHEMBL5013383 0.81 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3DPP4ALDH1A1
SCHEMBL4986376 0.81 DPP4 (0.47) DPP4PDE4APDE4BPDE4CPDE4D
SCHEMBL30539494 0.81 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3DPP4ALDH1A1
SCHEMBL5012150 0.81 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3ALDH1A1TSHR
Hydrochloric Acid SCHEMBL5013663 0.79 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3DPP4ALDH1A1
SCHEMBL19469843 0.79 NPC1 (0.47) DPP4PDE4APDE4BPDE4CPDE4D
SCHEMBL30415207 0.79 NPC1 (0.47) DPP4PDE4APDE4BPDE4CPDE4D
SCHEMBL11011803 0.79 CYP4F2 (0.41) SLC6A2SLC6A4SLC6A3ALDH1A1KDM4E
SCHEMBL21385911 0.78 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10975091-B2 Pyridine derivative ASTELLAS PHARMA INC. (JP) 2021-04-13 US disclosed
EP-3150581-B1 PYRIDINE DERIVATIVE ASTELLAS PHARMA INC (JP) 2020-04-15 EP disclosed
US-20200055868-A1 PYRIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2020-02-20 US disclosed
US-10421762-B2 Pyridine derivative ASTELLAS PHARMA INC. (JP) 2019-09-24 US disclosed
US-20180327418-A1 PYRIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2018-11-15 US disclosed
US-10059720-B2 Pyridine derivative ASTELLAS PHARMA INC. (JP) 2018-08-28 US disclosed
US-20170190715-A1 PYRIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2017-07-06 US disclosed
EP-3150581-A1 PYRIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2017-04-05 EP disclosed
EP-1884513-A1 PYRAZOLE COMPOUND AND THERAPEUTIC AGENT FOR DIABETES COMPRISING THE SAME Japan Tobacco, Inc. (JP) 2008-02-06 EP disclosed
EP-1884513-A1 PYRAZOLE COMPOUND AND THERAPEUTIC AGENT FOR DIABETES COMPRISING THE SAME Japan Tobacco, Inc. (JP) 2008-02-06 EP disclosed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 US disclosed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 US disclosed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 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 (7 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-20200055868-A1 PYRIDINE DERIVATIVE LAP3, PREP, DNPEP SLC6A2 409/4885SLC6A4 765/4885SLC6A3 380/4885
US-10975091-B2 Pyridine derivative LAP3, PREP, DNPEP SLC6A2 409/4885SLC6A4 765/4885SLC6A3 380/4885
US-20180327418-A1 PYRIDINE DERIVATIVE LAP3, PREP, DNPEP SLC6A2 409/4885SLC6A4 765/4885SLC6A3 380/4885
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents PYGL, GYS2, AGL SLC6A2 3703/4885SLC6A4 2705/4885SLC6A3 1721/4885
US-10059720-B2 Pyridine derivative LAP3, PREP, DNPEP SLC6A2 409/4885SLC6A4 765/4885SLC6A3 380/4885
US-10421762-B2 Pyridine derivative LAP3, PREP, DNPEP SLC6A2 409/4885SLC6A4 765/4885SLC6A3 380/4885
US-20170190715-A1 PYRIDINE DERIVATIVE LAP3, PREP, DNPEP SLC6A2 409/4885SLC6A4 765/4885SLC6A3 380/4885

“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.