SCHEMBL4992807

SCHEMBL4992807

O=C(Oc1ccc(N2C(=O)CC3(CCCC3)CC2=O)cn1)N1CCc2ccccc2C1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 2/20 0.46
ACHE P22303 1/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ABHD6 Q9BV23 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KEAP1 Q14145 1/20 0.38
GAA P10253 1/20 0.38
POLB P06746 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
HPGD P15428 2/20 0.37
NOTUM Q6P988 1/20 0.37
MAPT P10636 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36

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
SCHEMBL5002208 0.99 LIPE (0.46) LIPEACHEMEN1KMT2AABHD6
SCHEMBL4989293 0.88 LIPE (0.48) LIPEACHEMEN1KMT2AABHD6
SCHEMBL4998721 0.88 LIPE (0.38) LIPEACHEABHD6
SCHEMBL4998258 0.88 ADRA1B (0.36) LIPEACHESMN1; SMN2HTTHPGD
SCHEMBL4998309 0.88 ADRA1B (0.36) LIPEACHESMN1; SMN2HTTHPGD
SCHEMBL5004404 0.88 LIPE (0.38) LIPEACHE
SCHEMBL5004377 0.86 LIPE (0.46) LIPEACHEMEN1KMT2AABHD6
SCHEMBL4998710 0.85 LIPE (0.45) LIPEACHEMEN1KMT2AABHD6
SCHEMBL5002260 0.84 LIPE (0.49) LIPEACHEMEN1KMT2AABHD6
SCHEMBL5002014 0.82 LIPE (0.46) LIPEACHEMEN1KMT2AABHD6

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 8 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
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 claimed
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 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 343/4885MEN1 3374/4885

“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.