SCHEMBL6328305

SCHEMBL6328305

CCOC(=O)C1CC2CC(CO)CCC2CN1C(=O)OC

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.36
CYP3A4 P08684 5/20 0.35
KDM4E B2RXH2 1/20 0.35
CHRM1 P11229 4/20 0.33
MAPT P10636 2/20 0.33
TSHR P16473 1/20 0.33
FKBP1A P62942 2/20 0.32
ALDH1A1 P00352 4/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
CHRM5 P08912 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL6791730 1.00 NR1H2 (0.36) NR1H2CYP3A4KDM4ECHRM1MAPT
SCHEMBL6605366 0.91 CYP3A4 (0.34) CYP3A4KDM4ECHRM1MAPTTSHR
SCHEMBL6324214 0.89 CYP3A4 (0.34) CYP3A4KDM4ECHRM1MAPTTSHR
SCHEMBL6609747 0.89 FKBP1A (0.33) CYP3A4KDM4ECHRM1MAPTTSHR
SCHEMBL6608201 0.88 CYP3A4 (0.34) CYP3A4KDM4ECHRM1MAPTTSHR
SCHEMBL6605342 0.87 CYP3A4 (0.33) CYP3A4KDM4ECHRM1MAPTTSHR
SCHEMBL6606308 0.86 CYP3A4 (0.33) CYP3A4KDM4ECHRM1MAPTTSHR
SCHEMBL6608741 0.85 CHRM1 (0.32) CYP3A4KDM4ECHRM1MAPTCHRM5
SCHEMBL3305700 0.85 CYP3A4 (0.44) CYP3A4KDM4EMAPTTSHRFKBP1A
SCHEMBL6326567 0.85 NR1H2 (0.40) NR1H2CYP3A4KDM4EMAPTTSHR

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6953805-B2 Excitatory amino acid receptor antagonists ELI LILLY AND COMPANY (US) 2005-10-11 US disclosed
US-20050170999-A1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS FILLA SANDRA A (US) 2005-08-04 US disclosed
US-6855725-B2 Excitatory amino acid receptor antagonists ELI LILLY AND COMPANY (US) 2005-02-15 US disclosed
US-20040063749-A1 Excitatory amino acid receptor antagonists BLEISCH THOMAS JOHN (US) 2004-04-01 US disclosed
EP-0590789-B9 Excitatory amino acid receptor antagonists LILLY CO ELI (US) 2004-02-04 EP disclosed
EP-1351951-A2 PYRROLIDINYLMETHYL- AND PIPERIDINYL SUBSTITUTED DECAHYDROISOQUINOLINES AS EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2003-10-15 EP disclosed
EP-1351952-A2 PYRROLIDINYLMETHYL SUBSTITUTED DECAHYDROISOQUINOLINES AS EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2003-10-15 EP disclosed
WO-2003082856-A1 ISOQUINOLINE-3-CARBOXYLIC ACID DERIVATIVES AS EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2003-10-09 WO disclosed
EP-0590789-B1 Excitatory amino acid receptor antagonists LILLY CO ELI (US) 2003-03-12 EP disclosed
WO-2002053556-A2 PYRROLIDINYLMETHYL SUBSTITUTED DECAHYDROISOQUINOLINES AS EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2002-07-11 WO disclosed
US-5675008-A Excitatory amino acid receptor antagonists ELI LILLY AND COMPANY (US) 1997-10-07 US disclosed
US-5670516-A NERVOUS SYSTEM DISORDERS ELI LILLY AND COMPANY (US) 1997-09-23 US disclosed
US-5648492-A Process for preparing isoquinoline compounds ELI LILLY AND COMPANY (US) 1997-07-15 US disclosed
US-5637712-A CATALYTIC HYDROGENNATION ELI LILLY AND COMPANY (US) 1997-06-10 US disclosed
US-5606062-A STEREOSELECTIVE REDUCTION ELI LILLY AND COMPANY (US) 1997-02-25 US disclosed
US-5527810-A USEFUL IN THE TREATMENT OF NEUROLOGICAL DISORDERS ELI LILLY AND COMPANY (US) 1996-06-18 US disclosed
US-5399696-A Excitatory amino acid receptor antagonists; nervous system disorders ELI LILLY AND COMPANY (US) 1995-03-21 US disclosed
US-5356902-A Central nervous system disorders ELI LILLY AND COMPANY (US) 1994-10-18 US disclosed
EP-0590789-A1 Excitatory amino acid receptor antagonists ELI LILLY AND COMPANY (US) 1994-04-06 EP disclosed
US-5284957-A Substituted 1H- or 2H-tetrazoles ELI LILLY AND COMPANY (US) 1994-02-08 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 (2 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-20050170999-A1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS SLC1A2, SLC1A1, SLC1A3 NR1H2 863/4885CYP3A4 3320/4885KDM4E 2406/4885
US-20040063749-A1 Excitatory amino acid receptor antagonists SLC1A2, SLC1A1, SLC1A3 NR1H2 890/4885CYP3A4 2826/4885KDM4E 1583/4885

“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.