SCHEMBL5775030

SCHEMBL5775030

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD11B1 P28845 2/20 0.34
ALDH1A1 P00352 2/20 0.33
PGR P06401 3/20 0.32
CHRNA1 P02708 2/20 0.32
CHRNG P07510 2/20 0.32
CHRNB1 P11230 2/20 0.32
CHRNB2 P17787 2/20 0.32
SLC6A2 P23975 2/20 0.32
CHRNB4 P30926 2/20 0.32
CHRNA3 P32297 2/20 0.32
CHRNA4 P43681 2/20 0.32
SLC6A3 Q01959 2/20 0.32
CHRND Q07001 2/20 0.32
SLC6A4 P31645 1/20 0.32
GSK3B P49841 1/20 0.31
CCR2 P41597 1/20 0.31
TRPV1 Q8NER1 2/20 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
SCHEMBL5777951 0.91 HTR6 (0.38) HTR6PGR
SCHEMBL5776176 0.91 DDB1 (0.36) KMT2AHSD11B1ALDH1A1PGRCHRNA1
SCHEMBL5777138 0.91 HSD11B1 (0.39) HTR6KMT2AHSD11B1ALDH1A1GSK3B
SCHEMBL5775724 0.89 GAA (0.41) HTR6KMT2AALDH1A1GSK3BMAOA
SCHEMBL5775190 0.89 GSK3B (0.35) HSD11B1PGRCHRNA1CHRNGCHRNB1
SCHEMBL5775758 0.86 HSD11B1 (0.38) KMT2AHSD11B1PGRCHRNA1CHRNG
SCHEMBL5775901 0.85 ALDH1A1 (0.34) HTR6MAPK1KMT2AHSD11B1ALDH1A1
SCHEMBL5778573 0.85 ALDH1A1 (0.34) HTR6MAPK1KMT2AHSD11B1ALDH1A1
SCHEMBL5779413 0.85 BRD4 (0.34) HTR6MAPK1KMT2AHSD11B1ALDH1A1
SCHEMBL5777170 0.83 CHRNA1 (0.36) KMT2AHSD11B1CHRNA1CHRNGCHRNB1

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 HTR6 1156/4885MAPK1 3850/4885KMT2A 1135/4885

“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.