SCHEMBL5774674

SCHEMBL5774674

CC1(c2ccccc2)CC(Nc2ccc(Cl)c(C(F)(F)F)c2)C(=O)O1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 6/20 0.40
KDR P35968 1/20 0.39
CCR2 P41597 2/20 0.39
EPHX2 P34913 1/20 0.38
GRM4 Q14833 1/20 0.38
NTRK1 P04629 1/20 0.37
NTRK3 Q16288 1/20 0.37
NTRK2 Q16620 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KCNJ5 P48544 1/20 0.37
KCNJ3 P48549 1/20 0.37
CXCR2 P25025 1/20 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
SCHEMBL5776508 0.83 GRIN2B (0.39) GRIN2BKDREPHX2MEN1KMT2A
SCHEMBL5777138 0.79 HSD11B1 (0.39) GRIN2BMEN1KMT2AHTTNPSR1
SCHEMBL5774728 0.76 HTR6 (0.40) HTTNPSR1ALDH1A1
SCHEMBL5775777 0.76 DDB1 (0.37) MEN1KMT2AHTTALDH1A1
SCHEMBL5773915 0.75 HSD11B1 (0.43) GRIN2BMEN1KMT2AALDH1A1
SCHEMBL5774085 0.74 MMP2 (0.41) EPHX2MEN1KMT2AHTTALDH1A1
SCHEMBL5775190 0.73 GSK3B (0.35)
SCHEMBL5778899 0.73 THRB (0.38) GRIN2BMEN1KMT2AALDH1A1
SCHEMBL5775507 0.73 HSD11B1 (0.38) MEN1KMT2ANPSR1ALDH1A1
SCHEMBL5777842 0.73 TNKS (0.41) MEN1KMT2AALDH1A1

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 GRIN2B 9/4885KDR 3465/4885CCR2 4576/4885

“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.