SCHEMBL6288883

SCHEMBL6288883

CCOC(=O)c1c[nH]nc1NC1CC(C)(c2cccc(Br)c2)OC1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC26A6 Q9BXS9 1/20 0.37
FOS P01100 1/20 0.37
JUN P05412 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
CACNA1F O60840 1/20 0.36
ABCB1 P08183 1/20 0.36
CACNA1D Q01668 1/20 0.36
CACNA1S Q13698 1/20 0.36
CACNA1C Q13936 1/20 0.36
EGFR P00533 1/20 0.36
ERBB2 P04626 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRB2 P47870 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL6582104 0.87 IDO1 (0.34) SLC26A6CACNA1FABCB1CACNA1DCACNA1S
SCHEMBL6152278 0.84 ALDH1A1 (0.45) NPC1RAB9AALDH1A1KDM4ETP53
SCHEMBL6291829 0.84 JAK2 (0.40) FOSJUNNFKB1NFKB2RELA
SCHEMBL6152574 0.84 SYK (0.35) FOSJUNNFKB1NFKB2RELA
SCHEMBL6288861 0.78 ALOX15 (0.39) SLC26A6ALDH1A1KDM4EGAATP53
SCHEMBL6291868 0.78 KMT2A (0.36) RXFP1RAB9AALDH1A1KDM4EGAA
SCHEMBL6291852 0.76 CNR2 (0.35) RAB9AALDH1A1KDM4EGAATP53
SCHEMBL6153084 0.72 CYP2C9 (0.36) ALDH1A1GAAMAPTSLC6A2SLC6A4
SCHEMBL6153355 0.71
SCHEMBL6152031 0.70 OPRM1 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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 SLC26A6 4236/4885FOS 329/4885JUN 3613/4885

“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.