SCHEMBL4998285

SCHEMBL4998285

CC1(C)CC(=O)N(c2ccc(OC(=O)N3CCc4cc(F)ccc4C3)nc2)C(=O)C1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 1/20 0.39
ACHE P22303 1/20 0.37
PKM P14618 1/20 0.37
ESR2 Q92731 1/20 0.36
DPP4 P27487 4/20 0.36
DPP8 Q6V1X1 3/20 0.36
DPP9 Q86TI2 3/20 0.36
PITRM1 Q5JRX3 1/20 0.36
CHRM4 P08173 3/20 0.36
DPP7 Q9UHL4 2/20 0.35
ABHD6 Q9BV23 2/20 0.35
TMEM97 Q5BJF2 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
ROCK1 Q13464 1/20 0.35
GABRG2 P18507 3/20 0.34
GABRB3 P28472 3/20 0.34
GABRA5 P31644 3/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL5004394 0.96 LIPE (0.39) LIPEACHEPKMDPP4DPP8
SCHEMBL4998721 0.90 LIPE (0.38) LIPEACHEESR2DPP4DPP8
SCHEMBL4998728 0.90 PKM (0.41) LIPEACHEPKMESR2CHRM4
SCHEMBL14073072 0.89 ABHD6 (0.46) LIPEACHEESR2CHRM4ABHD6
SCHEMBL4989293 0.89 LIPE (0.48) LIPEACHEPKMABHD6
SCHEMBL4989312 0.88 GRM5 (0.40) LIPEACHEESR2DPP4DPP8
SCHEMBL4998508 0.88 LIPE (0.37) LIPEACHEESR2DPP4DPP8
SCHEMBL4996227 0.87 KMT2A (0.44)
SCHEMBL5004404 0.86 LIPE (0.38) LIPEACHEDPP4DPP8DPP9
SCHEMBL4998689 0.86 PKM (0.41) LIPEACHEPKMESR2CHRM4

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 343/4885PKM 1640/4885

“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.