SCHEMBL5776521

SCHEMBL5776521

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.37
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ALOX15 P16050 2/20 0.31
BRD4 O60885 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
HTR6 P50406 1/20 0.30
HSD11B1 P28845 1/20 0.30
KMT2A Q03164 2/20 0.30
CHRNA1 P02708 1/20 0.30
CHRNG P07510 1/20 0.30
CHRNB1 P11230 1/20 0.30
CHRNB2 P17787 1/20 0.30
SLC6A2 P23975 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
SCHEMBL5774103 0.91 HTT (0.38) HTTHCRTR1HCRTR2MAPTMAPK1
SCHEMBL5773687 0.91 ALOX15 (0.34) SMN1; SMN2ALDH1A1ALOX15BRD4NPC1
SCHEMBL5777194 0.90 THRB (0.35) MAPTALDH1A1RAB9ACHRNA1CHRNG
SCHEMBL5776474 0.89 CNR1 (0.34) HCRTR1HCRTR2MAPTL3MBTL1ALDH1A1
SCHEMBL5771783 0.87 ALOX15 (0.33) SMN1; SMN2ALDH1A1ALOX15BRD4NPC1
SCHEMBL5774237 0.84 ALDH1A1 (0.39) MAPK1SMN1; SMN2ALDH1A1RAB9AHSD11B1
SCHEMBL5774998 0.83 HSD11B1 (0.39) SMN1; SMN2ALDH1A1ALOX15NPC1RAB9A
SCHEMBL5777311 0.82 KMT2A (0.36) MAPTL3MBTL1ALDH1A1NPC1RAB9A
SCHEMBL5777244 0.82 P2RX7 (0.36) HCRTR1HCRTR2MAPK1NPC1RAB9A
SCHEMBL5774115 0.81 THRB (0.36) MAPK1SMN1; SMN2ALDH1A1NPC1RAB9A

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 HTT 734/4885HCRTR1 968/4885HCRTR2 649/4885

“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.