SCHEMBL6769417

SCHEMBL6769417

C=C1CC2COC(=O)C2(Cc2ccc(OCCC(C)C)cc2)C1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 1/20 0.58
S1PR1 P21453 1/20 0.39
S1PR5 Q9H228 1/20 0.39
TDP1 Q9NUW8 2/20 0.36
MAPK1 P28482 1/20 0.36
EPHX2 P34913 1/20 0.34
KMT2A Q03164 4/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TP53 P04637 1/20 0.33
MEN1 O00255 3/20 0.33
TSHR P16473 1/20 0.33
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CTDSP1 Q9GZU7 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
SCHEMBL6769421 1.00 GRM1 (0.58) GRM1S1PR1S1PR5TDP1MAPK1
SCHEMBL6898191 0.77 GRM1 (0.67) GRM1
SCHEMBL6770374 0.77 GRM1 (0.73) GRM1NPSR1
SCHEMBL29360760 0.73 GRM1 (1.00) GRM1
SCHEMBL186260 0.73 GRM1 (1.00) GRM1
SCHEMBL6769289 0.73 GRM1 (0.53) GRM1EPHX2KMT2AMEN1
SCHEMBL6770332 0.73 GRM1 (0.58) GRM1MAPK1KMT2AMAPTMEN1
SCHEMBL6776461 0.69 GRM1 (0.53) GRM1KMT2AMEN1
SCHEMBL6776455 0.69 GRM1 (0.53) GRM1KMT2AMEN1
SCHEMBL6771512 0.68 GRM1 (0.53) GRM1KMT2AMAPTMEN1ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6723718-B2 GLUTAMATERGIC ANTAGONIST AND AGONISTS; ANTIISCHEMIC AND ANTISPASMODIC AGENTS; BRAIN AND NERVOUS SYSTEM DISORDERS; TRAUMA BAYER AKTIENGESELLSCHAFT (DE) 2004-04-20 US disclosed
US-20030158424-A1 Substituted alpha, beta-anellated butyrolactones STOLLE ANDREAS (DE) 2003-08-21 US disclosed
US-6462074-B1 Substituted α, β-anellated butyrolactones BAYER AKTIENGESELLSCHAFT (DE) 2002-10-08 US disclosed
EP-1047684-B1 SUBSTITUTED ALPHA,BETA-ANELLATED BUTYROLACTONES BAYER AG (DE) 2002-10-02 EP 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-20030158424-A1 Substituted alpha, beta-anellated butyrolactones GABRB2, GABRB3, GABRB1 GRM1 74/4885S1PR1 3800/4885S1PR5 3520/4885

“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.