SCHEMBL4998546

SCHEMBL4998546

CCN1CC(=O)N(c2ccc(OC(=O)N3CCc4ccccc4C3)nc2)C(=O)C1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.44
TMEM97 Q5BJF2 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
GAA P10253 1/20 0.40
PRMT5 O14744 3/20 0.40
WDR77 Q9BQA1 3/20 0.40
NOTUM Q6P988 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HTT P42858 2/20 0.40
MAPK1 P28482 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
ABHD6 Q9BV23 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 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
SCHEMBL4998261 0.90 LIPE (0.45) LIPESMN1; SMN2PRMT5WDR77NOTUM
SCHEMBL5002260 0.89 LIPE (0.49) LIPESMN1; SMN2TMEM97SIGMAR1GAA
SCHEMBL5004377 0.87 LIPE (0.46) LIPESMN1; SMN2GAANOTUMALDH1A1
SCHEMBL4998710 0.86 LIPE (0.45) LIPESMN1; SMN2GAANOTUMALDH1A1
SCHEMBL4989293 0.85 LIPE (0.48) LIPESMN1; SMN2GAANOTUMALDH1A1
SCHEMBL5004388 0.83 LIPE (0.46) LIPESMN1; SMN2GAAPRMT5WDR77
SCHEMBL4992807 0.82 LIPE (0.46) LIPESMN1; SMN2GAANOTUMALDH1A1
SCHEMBL5002014 0.81 LIPE (0.46) LIPESMN1; SMN2GAANOTUMALDH1A1
SCHEMBL5002208 0.81 LIPE (0.46) LIPESMN1; SMN2GAANOTUMALDH1A1
SCHEMBL5002110 0.77 LIPE (0.46) LIPESMN1; SMN2GAANOTUMALDH1A1

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 6 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 claimed
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
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
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
EP-1853585-A1 3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID 5-AMINOPYRIDIN-2-YL ESTERS Novo Nordisk A/S (DK) 2007-11-14 EP disclosed
WO-2006087309-A1 3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID 5-AMINOPYRIDIN-2-YL ESTERS NOVO NORDISK A/S (DK) 2006-08-24 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 (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 1/4885SMN1; SMN2 2519/4885TMEM97 1617/4885

“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.