SCHEMBL5778573

SCHEMBL5778573

CC1(c2ccc(Cl)cc2)CC(Nc2ccc(I)cc2)C(=O)O1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
HTR6 P50406 1/20 0.33
HSD11B1 P28845 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PKM P14618 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
GSK3B P49841 2/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
GAA P10253 1/20 0.31
TSHR P16473 1/20 0.31
CHRNA1 P02708 1/20 0.31
CHRNG P07510 1/20 0.31
CHRNB1 P11230 1/20 0.31
CHRNB2 P17787 1/20 0.31
SLC6A2 P23975 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
SCHEMBL5775901 1.00 ALDH1A1 (0.34) ALDH1A1HTR6HSD11B1MAPK1KMT2A
SCHEMBL5777951 0.89 HTR6 (0.38) HTR6PGR
SCHEMBL5779413 0.88 BRD4 (0.34) ALDH1A1HTR6HSD11B1MAPK1KMT2A
SCHEMBL5773782 0.86 HSD11B1 (0.36) HSD11B1KMT2AGSK3BCHRNA1CHRNG
SCHEMBL5775030 0.85 HTR6 (0.34) ALDH1A1HTR6HSD11B1MAPK1KMT2A
SCHEMBL5775507 0.81 HSD11B1 (0.38) ALDH1A1HSD11B1KMT2APKMNPSR1
SCHEMBL5777242 0.79 CYP3A4 (0.38) ALDH1A1MAPK1KMT2ANPC1MAPT
SCHEMBL5775180 0.78 HCRTR1 (0.31)
SCHEMBL5778953 0.78 ALDH1A1 (0.41) ALDH1A1HSD11B1MAPK1KMT2AL3MBTL1
SCHEMBL5775142 0.77 HTR6 (0.38) ALDH1A1HTR6HSD11B1MAPK1L3MBTL1

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 ALDH1A1 3532/4885HTR6 1156/4885HSD11B1 2034/4885

“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.