SCHEMBL5773915

SCHEMBL5773915

CC1(c2cccc(Cl)c2)CC(Nc2ccccc2)C(=O)O1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.43
HCAR3 P49019 1/20 0.40
HCAR2 Q8TDS4 1/20 0.40
GSK3B P49841 1/20 0.39
GRIN2B Q13224 1/20 0.38
CHRNA1 P02708 3/20 0.38
CHRNG P07510 3/20 0.38
CHRNB1 P11230 3/20 0.38
CHRNB2 P17787 3/20 0.38
SLC6A2 P23975 3/20 0.38
CHRNB4 P30926 3/20 0.38
CHRNA3 P32297 3/20 0.38
CHRNA4 P43681 3/20 0.38
SLC6A3 Q01959 3/20 0.38
CHRND Q07001 3/20 0.38
SLC6A4 P31645 2/20 0.38
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
FADS1 O60427 1/20 0.37
ICMT O60725 3/20 0.37

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
SCHEMBL5775507 0.93 HSD11B1 (0.38) HSD11B1HCAR3HCAR2GSK3BCHRNA1
SCHEMBL5775758 0.90 HSD11B1 (0.38) HSD11B1HCAR3HCAR2GSK3BGRIN2B
SCHEMBL5773782 0.90 HSD11B1 (0.36) HSD11B1HCAR3HCAR2GSK3BCHRNA1
SCHEMBL5777138 0.85 HSD11B1 (0.39) HSD11B1GSK3BGRIN2BDDB1CRBN
SCHEMBL5774683 0.84 HSD11B1 (0.38) HSD11B1HCAR3HCAR2GSK3BCHRNA1
SCHEMBL5777170 0.80 CHRNA1 (0.36) HSD11B1HCAR3HCAR2CHRNA1CHRNG
SCHEMBL5774728 0.79 HTR6 (0.40) HSD11B1HCAR3HCAR2ALDH1A1KDM4E
SCHEMBL6152452 0.79 PHGDH (0.37) HSD11B1HCAR3HCAR2CHRNA1CHRNG
SCHEMBL5775190 0.79 GSK3B (0.35) HSD11B1GSK3BCHRNA1CHRNGCHRNB1
SCHEMBL5776425 0.79 HSD11B1 (0.39) HSD11B1GSK3BCHRNA1CHRNGCHRNB1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1406888-B1 SUBSTITUTED Y-LACTONE COMPOUNDS SERVING AS NMDA ANTAGONISTS GRUENENTHAL GMBH (DE) 2006-05-24 EP claimed
US-6956055-B2 Substituted γ-lactone compounds as NMDA-antagonists GRUNENTHAL GMBH (DE) 2005-10-18 US claimed
US-20040171677-A1 Substituted gamma-lactone compounds as NMDA-antagonists GRUNENTHAL GMBH (DE) 2004-09-02 US claimed
EP-1406888-A1 SUBSTITUTED $G(G)-LACTONE COMPOUNDS SERVING AS NMDA ANTAGONISTS Grünenthal GmbH (DE) 2004-04-14 EP claimed
WO-2003004483-A1 SUBSTITUTED $G(G)-LACTONE COMPOUNDS SERVING AS NMDA ANTAGONISTS Grünenthal GmbH (DE) 2003-01-16 WO claimed
EP-1406888-B1 SUBSTITUTED Y-LACTONE COMPOUNDS SERVING AS NMDA ANTAGONISTS GRUENENTHAL GMBH (DE) 2006-05-24 EP disclosed
US-6956055-B2 Substituted γ-lactone compounds as NMDA-antagonists GRUNENTHAL GMBH (DE) 2005-10-18 US disclosed
US-20040171677-A1 Substituted gamma-lactone compounds as NMDA-antagonists GRUNENTHAL GMBH (DE) 2004-09-02 US disclosed
EP-1406888-A1 SUBSTITUTED $G(G)-LACTONE COMPOUNDS SERVING AS NMDA ANTAGONISTS Grünenthal GmbH (DE) 2004-04-14 EP disclosed
WO-2003004483-A1 SUBSTITUTED $G(G)-LACTONE COMPOUNDS SERVING AS NMDA ANTAGONISTS Grünenthal GmbH (DE) 2003-01-16 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-20040171677-A1 Substituted gamma-lactone compounds as NMDA-antagonists GRIN1, GRIN3A, GRIK5 HSD11B1 2034/4885HCAR3 131/4885HCAR2 112/4885

“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.