SCHEMBL17801002

SCHEMBL17801002

NC[C@](O)(Cc1ccccn1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.51
PTPRA P18433 1/20 0.45
HRH1 P35367 2/20 0.44
SMN1; SMN2 Q16637 6/20 0.44
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 1/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 1/20 0.40
PARP10 Q53GL7 1/20 0.40
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40
HIF1A Q16665 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
SCHEMBL28444192 1.00 FDPS (0.51) FDPSPTPRAHRH1SMN1; SMN2CYP1A2
SCHEMBL8636588 0.78 FDPS (0.56) FDPSPTPRASMN1; SMN2CYP1A2CYP2C19
SCHEMBL4618294 0.78 NR3C1 (0.55) FDPSPTPRASMN1; SMN2CYP1A2CYP2C19
SCHEMBL6638562 0.78 FDPS (0.54) FDPSPTPRASMN1; SMN2CYP1A2CYP2C19
SCHEMBL27639696 0.75 SMN1; SMN2 (0.62) FDPSSMN1; SMN2CYP1A2CYP2C19KDM4E
SCHEMBL9092131 0.75 CYP1A2 (0.53) FDPSPTPRASMN1; SMN2CYP1A2CYP2C19
SCHEMBL10411105 0.75 FDPS (0.51) FDPSPTPRASMN1; SMN2CYP1A2CYP2C19
SCHEMBL29694017 0.75 CYP1A2 (0.53) FDPSPTPRASMN1; SMN2CYP1A2CYP2C19
SCHEMBL7810653 0.75 FDPS (0.51) FDPSPTPRASMN1; SMN2CYP1A2CYP2C19
SCHEMBL294785 0.75 CYP1A2 (0.53) FDPSPTPRASMN1; SMN2CYP1A2CYP2C19

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
US-10005762-B2 Pyridine derivatives ASTELLAS PHARMA INC. (JP) 2018-06-26 US disclosed
US-20170362209-A1 PYRIDINE DERIVATIVES ASTELLAS PHARMA INC. (JP) 2017-12-21 US disclosed
EP-3228616-A1 PYRIDINE DERIVATIVES Astellas Pharma Inc. (JP) 2017-10-11 EP disclosed
WO-2016088864-A1 PYRIDINE DERIVATIVE アステラス製薬株式会社 2016-06-09 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 (2 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-10005762-B2 Pyridine derivatives LAP3, PREP, DNPEP FDPS 2062/4885PTPRA 644/4885HRH1 1168/4885
US-20170362209-A1 PYRIDINE DERIVATIVES LAP3, PREP, DNPEP FDPS 2062/4885PTPRA 644/4885HRH1 1168/4885

“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.