SCHEMBL4989293

SCHEMBL4989293

CC1(C)CC(=O)N(c2ccc(OC(=O)N3CCc4ccccc4C3)nc2)C(=O)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 2/20 0.48
ACHE P22303 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
NOTUM Q6P988 2/20 0.41
ALDH1A1 P00352 3/20 0.40
HTT P42858 2/20 0.40
MAPK1 P28482 1/20 0.40
ABHD6 Q9BV23 1/20 0.39
DRD3 P35462 1/20 0.39
GAA P10253 1/20 0.39
POLB P06746 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HPGD P15428 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TAAR1 Q96RJ0 2/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPT P10636 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
SCHEMBL4998710 0.91 LIPE (0.45) LIPEACHESMN1; SMN2NOTUMALDH1A1
SCHEMBL5004377 0.89 LIPE (0.46) LIPEACHESMN1; SMN2NOTUMALDH1A1
SCHEMBL5004394 0.89 LIPE (0.39) LIPEACHEABHD6PKM
SCHEMBL4998285 0.89 LIPE (0.39) LIPEACHEABHD6PKM
SCHEMBL4992807 0.88 LIPE (0.46) LIPEACHESMN1; SMN2NOTUMALDH1A1
SCHEMBL5002260 0.88 LIPE (0.49) LIPEACHESMN1; SMN2NOTUMALDH1A1
SCHEMBL4998284 0.88 ABHD6 (0.44) LIPEACHESMN1; SMN2HTTABHD6
SCHEMBL4998728 0.88 PKM (0.41) LIPEACHESMN1; SMN2HTTHPGD
SCHEMBL4998689 0.88 PKM (0.41) LIPEACHESMN1; SMN2HTTHPGD
SCHEMBL5002110 0.87 LIPE (0.46) LIPEACHESMN1; SMN2NOTUMALDH1A1

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 1/4885ACHE 343/4885SMN1; SMN2 2519/4885

“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.