SCHEMBL5779413

SCHEMBL5779413

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

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.34
ALDH1A1 P00352 3/20 0.34
LMNA P02545 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HSD11B1 P28845 2/20 0.33
HTR6 P50406 1/20 0.33
CNR1 P21554 1/20 0.33
KMT2A Q03164 2/20 0.33
MAPK1 P28482 1/20 0.33
UTS2R Q9UKP6 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HTT P42858 1/20 0.32
MEN1 O00255 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
POLB P06746 1/20 0.32
FPR2 P25090 1/20 0.32
TRPV1 Q8NER1 2/20 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
SCHEMBL5778573 0.88 ALDH1A1 (0.34) BRD4ALDH1A1L3MBTL1HSD11B1HTR6
SCHEMBL5775027 0.88 ALDH1A1 (0.34) ALDH1A1LMNAL3MBTL1HSD11B1CNR1
SCHEMBL5775901 0.88 ALDH1A1 (0.34) BRD4ALDH1A1L3MBTL1HSD11B1HTR6
SCHEMBL5775030 0.85 HTR6 (0.34) ALDH1A1HSD11B1HTR6KMT2AMAPK1
SCHEMBL5774103 0.83 HTT (0.38) BRD4ALDH1A1L3MBTL1HTR6MAPK1
SCHEMBL5775507 0.81 HSD11B1 (0.38) ALDH1A1HSD11B1KMT2AHDAC1HDAC8
SCHEMBL5777244 0.78 P2RX7 (0.36) HSD11B1HTR6CNR1KMT2AMAPK1
SCHEMBL6153035 0.78 ALDH1A1 (0.39) ALDH1A1LMNAKMT2AMAPK1HTT
SCHEMBL5778953 0.78 ALDH1A1 (0.41) ALDH1A1L3MBTL1HSD11B1CNR1KMT2A
SCHEMBL5774115 0.77 THRB (0.36) ALDH1A1LMNAHSD11B1HTR6KMT2A

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 BRD4 2225/4885ALDH1A1 3532/4885LMNA 3615/4885

“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.