SCHEMBL5776474

SCHEMBL5776474

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 6/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
NPY1R P25929 1/20 0.34
NPY2R P49146 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 1/20 0.33
P2RX7 Q99572 1/20 0.33
ELOVL6 Q9H5J4 1/20 0.32
GRIN2B Q13224 1/20 0.32
FADS1 O60427 1/20 0.32
DRD5 P21918 1/20 0.32
SLC6A2 P23975 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
GPR183 P32249 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRK1 P41145 1/20 0.32
HTR2B P41595 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
SCHEMBL5771783 0.93 ALOX15 (0.33) ALDH1A1P2RX7SLC6A2SLC6A3NPC1
SCHEMBL5773687 0.93 ALOX15 (0.34) ALDH1A1P2RX7SLC6A2SLC6A3NPC1
SCHEMBL5777244 0.93 P2RX7 (0.36) CNR1KMT2AP2RX7SLC6A2SLC6A3
SCHEMBL5777311 0.91 KMT2A (0.36) CNR1MAPTKMT2AALDH1A1ELOVL6
SCHEMBL5777194 0.90 THRB (0.35) MAPTALDH1A1GRIN2BSLC6A2SLC6A3
SCHEMBL5776521 0.89 HTT (0.37) MAPTKMT2AALDH1A1SLC6A2SLC6A3
SCHEMBL5776022 0.87 NPSR1 (0.41) CNR1MEN1MAPTKMT2ANPSR1
SCHEMBL5774237 0.86 ALDH1A1 (0.39) MEN1KMT2AALDH1A1P2RX7SLC6A2
SCHEMBL5777514 0.86 KMT2A (0.38) MEN1MAPTKMT2ANPSR1ALDH1A1
SCHEMBL5774115 0.85 THRB (0.36) KMT2AALDH1A1P2RX7SLC6A2SLC6A3

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 CNR1 202/4885MEN1 748/4885MAPT 1864/4885

“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.