SCHEMBL5002158

SCHEMBL5002158

O=C1CC2(CCCCC2)CC(=O)[N]1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
PIK3CG P48736 1/20 0.32

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
SCHEMBL4998566 0.97 SMN1; SMN2 (0.33) SMN1; SMN2PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL3092593 0.75
SCHEMBL428337 0.75 ESR2 (0.38) SMN1; SMN2PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL428515 0.71
SCHEMBL1177140 0.70 SMN1; SMN2 (0.33) SMN1; SMN2
SCHEMBL19255977 0.70 CRBN (0.41) SMN1; SMN2
SCHEMBL346851 0.70 CRBN (0.41) SMN1; SMN2
SCHEMBL11626081 0.68 TSHR (0.36) SMN1; SMN2PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL395804 0.68 TSHR (0.36) SMN1; SMN2PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL7338345 0.68 TSHR (0.36) SMN1; SMN2PIK3CDPIK3CAPIK3CBPIK3CG

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 SMN1; SMN2 2519/4885PIK3CD 1887/4885PIK3CA 1390/4885

“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.