SCHEMBL5776933

SCHEMBL5776933

CCC1(c2ccccc2)CC(Nc2cc(Cl)cc(Cl)c2)C(=O)O1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.36
ICMT O60725 1/20 0.35
ALDH1A1 P00352 2/20 0.34
HTT P42858 3/20 0.33
UTS2R Q9UKP6 3/20 0.33
LMNA P02545 2/20 0.33
TP53 P04637 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TRPV1 Q8NER1 3/20 0.33
CBLB Q13191 1/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
POLB P06746 2/20 0.33
CYP1A2 P05177 1/20 0.33
TSHR P16473 1/20 0.33
APEX1 P27695 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL5778108 0.91 ICMT (0.36) PGRICMTALDH1A1HTTUTS2R
SCHEMBL5778216 0.89 ICMT (0.35) PGRICMTALDH1A1HTTUTS2R
SCHEMBL5777138 0.81 HSD11B1 (0.39) ICMTALDH1A1HTTLMNATP53
SCHEMBL5775190 0.75 GSK3B (0.35) PGRICMT
SCHEMBL5775758 0.75 HSD11B1 (0.38) PGRTRPV1CBLBMEN1KMT2A
SCHEMBL5775977 0.73 ALDH1A1 (0.39) ALDH1A1HTTKMT2AKDM4EGAA
SCHEMBL5776508 0.73 GRIN2B (0.39) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL5775152 0.73 ICMT (0.35) ICMTALDH1A1HTTLMNATP53
SCHEMBL5775030 0.73 HTR6 (0.34) PGRALDH1A1TRPV1KMT2A
SCHEMBL5776263 0.72 GRIN1 (0.33) PGRALDH1A1LMNATRPV1MEN1

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 PGR 2748/4885ICMT 756/4885ALDH1A1 3532/4885

“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.