SCHEMBL5776176

SCHEMBL5776176

CC1(c2ccc(F)cc2)CC(Nc2cc(Cl)cc(Cl)c2)C(=O)O1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
GRIN2B Q13224 1/20 0.34
PGR P06401 3/20 0.33
MAOB P27338 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
ELOVL6 Q9H5J4 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
IDO1 P14902 1/20 0.31
CFTR P13569 1/20 0.31
ACLY P53396 1/20 0.31
HCAR3 P49019 1/20 0.30
HCAR2 Q8TDS4 1/20 0.30
CHRNA1 P02708 1/20 0.30
CHRNG P07510 1/20 0.30
CHRNB1 P11230 1/20 0.30
CHRNB2 P17787 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
SCHEMBL5775030 0.91 HTR6 (0.34) PGRMAOBKMT2AALDH1A1CHRNA1
SCHEMBL5777951 0.88 HTR6 (0.38) PGR
SCHEMBL5777138 0.88 HSD11B1 (0.39) DDB1CRBNGRIN2BMEN1KMT2A
SCHEMBL5775190 0.86 GSK3B (0.35) PGRCHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL5775724 0.86 GAA (0.41) MAOBTDP1MEN1KMT2AALDH1A1
SCHEMBL5775758 0.83 HSD11B1 (0.38) GRIN2BPGRMEN1KMT2AHCAR3
SCHEMBL5777311 0.82 KMT2A (0.36) TDP1ELOVL6KMT2AALDH1A1TRPV1
SCHEMBL5776474 0.82 CNR1 (0.34) GRIN2BELOVL6MEN1KMT2AALDH1A1
SCHEMBL5773687 0.82 ALOX15 (0.34) ALDH1A1CFTRCHRNA1CHRNGCHRNB1
SCHEMBL5776263 0.81 GRIN1 (0.33) GRIN2BPGRMEN1KMT2AALDH1A1

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 DDB1 3645/4885CRBN 2171/4885GRIN2B 9/4885

“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.