SCHEMBL5778037

SCHEMBL5778037

COc1ccc(OC)c(C2(C)CC(Nc3ccc(Br)cn3)C(=O)O2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
NPC1 O15118 6/20 0.40
RAB9A P51151 6/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
TSHR P16473 2/20 0.38
MITF O75030 2/20 0.36
CYP1A1 P04798 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP1B1 Q16678 1/20 0.36
ATM Q13315 1/20 0.34
TP53 P04637 4/20 0.34
GAA P10253 1/20 0.34
ALDH1A1 P00352 2/20 0.34
RECQL P46063 1/20 0.34
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL5773899 0.86 CCR6 (0.43) MAPTKMT2AMEN1GAALMNA
SCHEMBL6153378 0.85 ROCK2 (0.37) KMT2AMEN1TSHRGAAALDH1A1
SCHEMBL6152589 0.85 ALDH1A1 (0.41) MAPTNPC1RAB9AKMT2AMEN1
SCHEMBL6292491 0.83 HSD17B10 (0.35) MAPTKMT2AMEN1TSHRGAA
SCHEMBL5775592 0.82 KDM4E (0.40) MAPTNPC1RAB9AKMT2AMEN1
SCHEMBL5774622 0.78 MEN1 (0.42) MAPTNPC1RAB9AKMT2AMEN1
SCHEMBL5776589 0.78 TP53 (0.41) MAPTKMT2AMEN1TSHRTP53
SCHEMBL6153035 0.78 ALDH1A1 (0.39) NPC1RAB9AKMT2AMEN1TSHR
SCHEMBL5775789 0.75 HPGD (0.41) MAPTRAB9AKMT2AMEN1TP53
SCHEMBL5772617 0.74 NPC1 (0.35) MAPTNPC1RAB9AKMT2AMEN1

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 MAPT 1864/4885NPC1 3513/4885RAB9A 4818/4885

“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.