SCHEMBL4095230

SCHEMBL4095230

NC(=O)C1[C@@H](O)CCN1C(=O)[CH]Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.44
CYP2C19 P33261 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 3/20 0.37
LMNA P02545 1/20 0.37
DPP4 P27487 2/20 0.36
PDCD1 Q15116 2/20 0.36
CD274 Q9NZQ7 2/20 0.36
ALDH1A1 P00352 1/20 0.35
GBA1 P04062 1/20 0.35
SLC18A3 Q16572 1/20 0.35
CYP2C9 P11712 1/20 0.34
HTR2B P41595 1/20 0.34
MAPK14 Q16539 1/20 0.34
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34

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
SCHEMBL6052746 1.00 TACR1 (0.44) TACR1CYP2C19SMN1; SMN2GAALMNA
SCHEMBL4086816 1.00 TACR1 (0.44) TACR1CYP2C19SMN1; SMN2GAALMNA
SCHEMBL3137156 0.87 GBA1 (0.37) SMN1; SMN2DPP4GBA1SLC18A3DPP8
SCHEMBL3129734 0.87 GBA1 (0.37) SMN1; SMN2DPP4GBA1SLC18A3DPP8
SCHEMBL3094922 0.86 TACR1 (0.38) TACR1CYP2C19SMN1; SMN2GAADPP4
SCHEMBL6704820 0.86 TACR1 (0.38) TACR1CYP2C19SMN1; SMN2GAADPP4
SCHEMBL6165781 0.82 DPP4 (0.40) TACR1CYP2C19SMN1; SMN2DPP4DPP8
SCHEMBL6052774 0.82 FUCA1 (0.40) TACR1CYP2C19SMN1; SMN2GAAGBA1
SCHEMBL6052771 0.82 FUCA1 (0.40) TACR1CYP2C19SMN1; SMN2GAAGBA1
SCHEMBL6052770 0.82 FUCA1 (0.40) TACR1CYP2C19SMN1; SMN2GAAGBA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090023703-A1 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PROSIDION LIMITED (GB) 2009-01-22 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 (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-20090023703-A1 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PYGL, PYGM, PYGB TACR1 3420/4885CYP2C19 905/4885SMN1; SMN2 3554/4885

“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.