SCHEMBL5774660

SCHEMBL5774660

CC1(c2cccc3ccccc23)CC(Nc2ccc(I)cc2)C(=O)O1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.33
HPGD P15428 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
NCOA1 Q15788 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
KMT2A Q03164 3/20 0.33
MAPT P10636 4/20 0.32
MEN1 O00255 2/20 0.32
MAPK1 P28482 1/20 0.32
SLC6A4 P31645 2/20 0.31
SLC6A3 Q01959 2/20 0.31
SLC6A2 P23975 1/20 0.31
PLA2G6 O60733 2/20 0.31
MAOB P27338 1/20 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
SCHEMBL5777654 0.83 NFKB1 (0.36) KDM4EHPGDSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL5774960 0.76 MAPK14 (0.39) KDM4EALDH1A1KMT2AMAPTMEN1
SCHEMBL6153490 0.75 ELANE (0.32) KDM4ESMN1; SMN2KMT2AMAPTMEN1
SCHEMBL5774008 0.75 ATM (0.37) KDM4ESMN1; SMN2KMT2AMAPTMEN1
SCHEMBL6153107 0.75 RAB9A (0.35) KDM4EHPGDSMN1; SMN2ALDH1A1KMT2A
SCHEMBL5773782 0.75 HSD11B1 (0.36) KMT2AMEN1SLC6A4SLC6A3SLC6A2
SCHEMBL5778573 0.74 ALDH1A1 (0.34) ALDH1A1KMT2AMAPTMAPK1SLC6A4
SCHEMBL6152681 0.73 PDK2 (0.31) KDM4EMAPT
SCHEMBL5775180 0.69 HCRTR1 (0.31)
SCHEMBL5777951 0.68 HTR6 (0.38)

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 5 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
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 KDM4E 1548/4885HPGD 485/4885SMN1; SMN2 4384/4885

“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.