SCHEMBL4998528

SCHEMBL4998528

Nc1ccc(OC(=O)N2CCc3ccccc3C2)nc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 2/20 0.56
GRIN2D O15399 1/20 0.50
GRIN3B O60391 1/20 0.50
GRIN1 Q05586 1/20 0.50
GRIN2A Q12879 1/20 0.50
GRIN2B Q13224 1/20 0.50
GRIN2C Q14957 1/20 0.50
GRIN3A Q8TCU5 1/20 0.50
ABHD6 Q9BV23 1/20 0.47
NOTUM Q6P988 1/20 0.47
GAA P10253 1/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
HPGD P15428 3/20 0.45
NR1H2 P55055 1/20 0.45
KEAP1 Q14145 1/20 0.44
TMPRSS2 O15393 1/20 0.43
HTR1A P08908 1/20 0.43

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
SCHEMBL28052547 0.80 LIPE (0.56) LIPEABHD6NOTUMGAAMEN1
SCHEMBL829334 0.80 LIPE (0.56) LIPEABHD6NOTUMGAAMEN1
SCHEMBL4989293 0.78 LIPE (0.48) LIPEABHD6NOTUMGAAMEN1
SCHEMBL5002260 0.78 LIPE (0.49) LIPEABHD6NOTUMGAAMEN1
SCHEMBL4992807 0.77 LIPE (0.46) LIPEABHD6NOTUMGAAMEN1
SCHEMBL5002208 0.76 LIPE (0.46) LIPEABHD6NOTUMGAAMEN1
SCHEMBL5002110 0.76 LIPE (0.46) LIPEABHD6NOTUMGAAMEN1
SCHEMBL5004377 0.76 LIPE (0.46) LIPEABHD6NOTUMGAAMEN1
SCHEMBL4998710 0.75 LIPE (0.45) LIPEABHD6NOTUMGAAMEN1
SCHEMBL4998546 0.75 LIPE (0.49) LIPEABHD6NOTUMGAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080227792-A1 3,4-Dihydro-1H-Isoquinoline-2-Carboxylic Acid 5-Aminopyridin-2-Yl Esters NOVO NORDISK A/S (DK) 2008-09-18 US disclosed
CN-101115741-A 3,4-dihydro-1h-isoquinoline-2-carboxylic acid 5-aminopyridin-2-yl esters NOVO NORDISK AS (DK) 2008-01-30 CN 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-20080227792-A1 3,4-Dihydro-1H-Isoquinoline-2-Carboxylic Acid 5-Aminopyridin-2-Yl Esters LIPE, LIPC, PNLIP LIPE 1/4885GRIN2D 3001/4885GRIN3B 2608/4885

“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.