SCHEMBL5774998

SCHEMBL5774998

CC1(c2ccc(-c3ccccc3)cc2)CC(Nc2ccc(F)cc2Cl)C(=O)O1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.39
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
LMNA P02545 2/20 0.33
TP53 P04637 1/20 0.33
CHRNA1 P02708 1/20 0.32
CHRNG P07510 1/20 0.32
CHRNB1 P11230 1/20 0.32
CHRNB2 P17787 1/20 0.32
SLC6A2 P23975 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
CHRND Q07001 1/20 0.32
DHODH Q02127 1/20 0.32
FABP3 P05413 1/20 0.32
FABP4 P15090 1/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 2/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL5773687 0.91 ALOX15 (0.34) NPC1RAB9ALMNATP53CHRNA1
SCHEMBL5776022 0.89 NPSR1 (0.41) HSD11B1NPC1LMNATP53CHRNA1
SCHEMBL5771783 0.89 ALOX15 (0.33) NPC1RAB9ACHRNA1CHRNGCHRNB1
SCHEMBL5777879 0.87 ALDH1A1 (0.39) HSD11B1NPC1RAB9ALMNACHRNA1
SCHEMBL5776474 0.85 CNR1 (0.34) NPC1RAB9ASLC6A2ALDH1A1ACLY
SCHEMBL5774237 0.85 ALDH1A1 (0.39) HSD11B1RAB9ACHRNA1CHRNGCHRNB1
SCHEMBL5777194 0.84 THRB (0.35) RAB9ALMNATP53CHRNA1CHRNG
SCHEMBL5776521 0.83 HTT (0.37) HSD11B1NPC1RAB9ACHRNA1CHRNG
SCHEMBL5778899 0.81 THRB (0.38) HSD11B1NPC1RAB9ATP53ALDH1A1
SCHEMBL5777244 0.80 P2RX7 (0.36) HSD11B1NPC1RAB9ACHRNA1CHRNG

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 HSD11B1 2034/4885NPC1 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.