SCHEMBL5777360

SCHEMBL5777360

Cc1ccc(NC2CC(C)(c3ccc(I)cc3)OC2=O)c(Br)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.35
NPC1 O15118 10/20 0.35
P2RX5 Q93086 1/20 0.34
P2RX4 Q99571 1/20 0.34
P2RX7 Q99572 1/20 0.34
P2RX2 Q9UBL9 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
PKM P14618 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
POLB P06746 2/20 0.33
TP53 P04637 1/20 0.31
SMN1; SMN2 Q16637 4/20 0.31
L3MBTL1 Q9Y468 3/20 0.31
MAPT P10636 2/20 0.31
HPGD P15428 2/20 0.31
MAPK1 P28482 1/20 0.31
NFKB1 P19838 2/20 0.31
NFKB2 Q00653 2/20 0.31
RELA Q04206 2/20 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
SCHEMBL5775027 0.78 ALDH1A1 (0.34) L3MBTL1GAALMNA
SCHEMBL5775180 0.78 HCRTR1 (0.31)
SCHEMBL5774115 0.77 THRB (0.36) RAB9ANPC1P2RX7KMT2APOLB
SCHEMBL6152993 0.77 NPC1 (0.32) RAB9ANPC1SMN1; SMN2MAPTMAPK1
SCHEMBL5774008 0.77 ATM (0.37) RAB9ANPC1P2RX5P2RX4P2RX7
SCHEMBL5777242 0.76 CYP3A4 (0.38) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL6152460 0.76 NOS3 (0.33) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL5777194 0.76 THRB (0.35) RAB9APOLBTP53MAPTLMNA
SCHEMBL5778899 0.75 THRB (0.38) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL5777951 0.74 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 8 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

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 RAB9A 4818/4885NPC1 3513/4885P2RX5 675/4885

“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.