SCHEMBL6776455

SCHEMBL6776455

C=CCOC(=O)Nc1ccc(CC23CC(=C)CC2COC3=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 1/20 0.53
BCL2 P10415 1/20 0.36
AGPAT2 O15120 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CSNK2A2 P19784 1/20 0.31
CSNK2A1 P68400 1/20 0.31
TGM2 P21980 2/20 0.31
GRM2 Q14416 2/20 0.31
GRM3 Q14832 2/20 0.31
GAA P10253 1/20 0.31
EGFR P00533 1/20 0.30
TUBB4A P04350 1/20 0.30
TUBB P07437 1/20 0.30
TUBA3C P0DPH7 1/20 0.30
TUBA1B P68363 1/20 0.30
TUBA4A P68366 1/20 0.30
TUBB4B P68371 1/20 0.30
TUBB3 Q13509 1/20 0.30
TUBB2A Q13885 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
SCHEMBL6776461 1.00 GRM1 (0.53) GRM1BCL2AGPAT2MEN1KMT2A
SCHEMBL7418474 0.80 GRM1 (0.62) GRM1GAA
SCHEMBL6898189 0.77 GRM1 (0.67) GRM1GAA
SCHEMBL6771512 0.75 GRM1 (0.53) GRM1MEN1KMT2AGAA
SCHEMBL7422783 0.70 GRM1 (0.67) GRM1
SCHEMBL6770377 0.69 GRM1 (0.64) GRM1KMT2A
SCHEMBL6769421 0.69 GRM1 (0.58) GRM1MEN1KMT2A
SCHEMBL7416569 0.69 GRM1 (0.61) GRM1MEN1KMT2AGAA
SCHEMBL2464156 0.68 MEN1 (0.49) BCL2AGPAT2MEN1KMT2ACSNK2A2
SCHEMBL2465134 0.67 MEN1 (0.51) BCL2AGPAT2MEN1KMT2ACSNK2A2

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 7 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
WO-2001004107-A1 SUBSTITUTED α,β-ANELLATED BUTYROLACTONES BAYER AKTIENGESELLSCHAFT (DE) 2001-01-18 WO disclosed
EP-1047684-A1 SUBSTITUTED ALPHA,BETA-ANELLATED BUTYROLACTONES BAYER AG (DE) 2000-11-02 EP disclosed
WO-1999036416-A1 SUBSTITUTED α,β-ANELLATED BUTYROLACTONES BAYER AKTIENGESELLSCHAFT (DE) 1999-07-22 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-20030158424-A1 Substituted alpha, beta-anellated butyrolactones GABRB2, GABRB3, GABRB1 GRM1 74/4885BCL2 951/4885AGPAT2 1169/4885

“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.