SCHEMBL5776501

SCHEMBL5776501

COc1ccccc1C1(C)CC(Nc2[nH]nc(-c3ccccc3)c2Br)C(=O)O1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.34
MAPK8 P45983 1/20 0.33
MAPK10 P53779 1/20 0.33
MAPK14 Q16539 1/20 0.33
ROCK2 O75116 1/20 0.31
ROCK1 Q13464 1/20 0.31
GSK3A P49840 1/20 0.31
GSK3B P49841 1/20 0.31
AKR1B1 P15121 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MAPK1 P28482 2/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
PKM P14618 1/20 0.31
KMT2A Q03164 1/20 0.31
NPY5R Q15761 1/20 0.30
P2RX3 P56373 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TP53 P04637 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
SCHEMBL6152055 0.77 KMT2A (0.32) AKR1B1MAPK1KMT2AALDH1A1POLB
SCHEMBL5775523 0.75 KDM4E (0.35) AKR1B1MAPK1KMT2ANPY5RALDH1A1
SCHEMBL5776246 0.74 SMN1; SMN2 (0.43) MAPK1MEN1LMNAPKMKMT2A
SCHEMBL5774783 0.72 MAPT (0.34) AKR1B1MEN1LMNAKMT2ANPY5R
SCHEMBL5778229 0.72 HCRTR1 (0.33) AKR1B1NPY5RALDH1A1TP53CCNA2
SCHEMBL5775032 0.71 KDM4E (0.42) ROCK2AKR1B1HSD17B10MEN1LMNA
SCHEMBL6152061 0.71 LMNA (0.41) ROCK2ROCK1TSHRMEN1LMNA
SCHEMBL5775571 0.68 PDE4D (0.40) TSHRHSD17B10MEN1LMNAKMT2A
SCHEMBL5776910 0.65 GSK3A (0.35) GSK3AHSD17B10MEN1KMT2AALDH1A1
SCHEMBL6152589 0.64 ALDH1A1 (0.41) MEN1LMNAKMT2AALDH1A1SMN1; SMN2

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 PDGFRB 2903/4885MAPK8 3317/4885MAPK10 2661/4885

“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.