SCHEMBL4989335

SCHEMBL4989335

COc1cc2c(cc1OC)CN(C(=O)Oc1ccc(N3CCC(C)(C)CC3=O)cn1)CC2

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.42
MEN1 O00255 3/20 0.42
HSD17B10 Q99714 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
MAPK1 P28482 1/20 0.41
KDM4E B2RXH2 2/20 0.39
ALOX15 P16050 1/20 0.39
NPC1 O15118 1/20 0.39
THRB P10828 1/20 0.39
MAPT P10636 5/20 0.39
LMNA P02545 1/20 0.39
PDE4B Q07343 2/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
GAA P10253 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MDM2 Q00987 1/20 0.39
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL4998259 0.90 HRH3 (0.41) HPGDALDH1A1
SCHEMBL4998517 0.90 ABHD6 (0.44) HPGDALDH1A1
SCHEMBL4996227 0.88 KMT2A (0.44) KMT2AMEN1HSD17B10NPSR1MAPK1
SCHEMBL4989312 0.88 GRM5 (0.40)
SCHEMBL4996224 0.88 GRM5 (0.40)
SCHEMBL5002110 0.87 LIPE (0.46) KMT2AMEN1MAPK1MAPTHPGD
SCHEMBL5004384 0.87 GRM5 (0.38) NPSR1MAPTHPGDHTT
SCHEMBL4998738 0.87 GRM5 (0.38) NPSR1MAPTHPGDHTT
SCHEMBL4992778 0.82 KMT2A (0.42) KMT2AMEN1HSD17B10NPSR1MAPK1
SCHEMBL14073072 0.78 ABHD6 (0.46) HPGDALDH1A1

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-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
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 KMT2A 2803/4885MEN1 3374/4885HSD17B10 52/4885

“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.