SCHEMBL5775027

SCHEMBL5775027

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

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HSD11B1 P28845 1/20 0.31
CNR1 P21554 1/20 0.31
GAA P10253 1/20 0.31
TSHR P16473 1/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
FPR2 P25090 1/20 0.31
CASP6 P55212 1/20 0.30
HSD17B10 Q99714 1/20 0.30
PGR P06401 1/20 0.30

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
SCHEMBL5778573 0.88 ALDH1A1 (0.34) ALDH1A1L3MBTL1HSD11B1GAATSHR
SCHEMBL5779413 0.88 BRD4 (0.34) ALDH1A1LMNAL3MBTL1HSD11B1CNR1
SCHEMBL5775901 0.88 ALDH1A1 (0.34) ALDH1A1L3MBTL1HSD11B1GAATSHR
SCHEMBL5775777 0.87 DDB1 (0.37) ALDH1A1LMNAL3MBTL1HSD11B1GAA
SCHEMBL5775142 0.81 HTR6 (0.38) ALDH1A1LMNAL3MBTL1HSD11B1PGR
SCHEMBL5777951 0.81 HTR6 (0.38) PGR
SCHEMBL5777607 0.81 HSD11B1 (0.34) ALDH1A1LMNAL3MBTL1HSD11B1
SCHEMBL5773782 0.79 HSD11B1 (0.36) HSD11B1PGR
SCHEMBL5777360 0.78 RAB9A (0.35) LMNAL3MBTL1GAA
SCHEMBL5775180 0.78 HCRTR1 (0.31)

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 3532/4885LMNA 3615/4885L3MBTL1 2385/4885

“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.