SCHEMBL4998752

SCHEMBL4998752

CCC1(C)CC(=O)[N]C(=O)C1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.56
LMNA P02545 1/20 0.56
CYP2C19 P33261 1/20 0.56
TSHR P16473 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KMT2A Q03164 1/20 0.33
MAPK1 P28482 1/20 0.33
MAPT P10636 1/20 0.30

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
SCHEMBL4998703 0.77 KDM4E (0.36) KDM4ELMNACYP2C19TSHRNPSR1
SCHEMBL4787173 0.77 KDM4E (0.58) KDM4ELMNACYP2C19TSHRNPSR1
SCHEMBL2404211 0.73 MAPT (0.40) KDM4ECYP2C19TSHRKMT2AMAPK1
Bemegride SCHEMBL601065 0.72 LMNA (1.00) KDM4ELMNACYP2C19TSHRNPSR1
SCHEMBL193896 0.70 KDM4E (0.56) KDM4ELMNACYP2C19TSHRNPSR1
SCHEMBL11358089 0.69 KDM4E (0.48) KDM4ELMNACYP2C19TSHRNPSR1
SCHEMBL3267598 0.68 KDM4E (0.33) KDM4ELMNACYP2C19TSHRNPSR1
SCHEMBL13686223 0.68 KDM4E (0.54) KDM4ELMNACYP2C19TSHRNPSR1
SCHEMBL8349046 0.67 LMNA (0.52) KDM4ELMNACYP2C19TSHRNPSR1
SCHEMBL13684330 0.64 KDM4E (0.48) KDM4ELMNACYP2C19TSHRNPSR1

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 5 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
US-4282145-A Process for the preparation of azetidines GIST-BROCADES N.V. (NL) 1981-08-04 US 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 KDM4E 2482/4885LMNA 1229/4885CYP2C19 497/4885

“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.