SCHEMBL6245754

SCHEMBL6245754

CCCc1c(OCCCOCc2ccc(-c3nn[nH]n3)cc2)ccc(C(C)=O)c1O

nearest known ligand 0.83

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 10/20 0.83
CYSLTR2 Q9NS75 5/20 0.83
GRM2 Q14416 15/20 0.80
MEN1 O00255 1/20 0.64
LMNA P02545 1/20 0.64
GLA P06280 1/20 0.64
CYP3A4 P08684 1/20 0.64
ALOX5 P09917 1/20 0.64
ALOX15 P16050 1/20 0.64
TSHR P16473 1/20 0.64
PTGS1 P23219 1/20 0.64
PTGS2 P35354 1/20 0.64
KMT2A Q03164 1/20 0.64
TDP1 Q9NUW8 1/20 0.64

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
SCHEMBL29466707 0.87 GRM2 (1.00) CYSLTR1CYSLTR2GRM2MEN1LMNA
SCHEMBL6245198 0.87 GRM2 (1.00) CYSLTR1CYSLTR2GRM2MEN1LMNA
SCHEMBL8337653 0.86 GRM2 (1.00) CYSLTR1CYSLTR2GRM2MEN1LMNA
SCHEMBL8337474 0.86 GRM2 (0.94) CYSLTR1CYSLTR2GRM2MEN1LMNA
SCHEMBL3157609 0.86 CYSLTR1 (0.89) CYSLTR1CYSLTR2GRM2
SCHEMBL3166625 0.85 CYSLTR1 (0.88) CYSLTR1CYSLTR2GRM2
SCHEMBL481058 0.85 CYSLTR1 (0.88) CYSLTR1CYSLTR2GRM2
SCHEMBL6245759 0.84 CYSLTR1 (0.59) CYSLTR1CYSLTR2GRM2MEN1TSHR
SCHEMBL6243450 0.84 GRM2 (0.80) CYSLTR1CYSLTR2GRM2MEN1LMNA
SCHEMBL6246394 0.83 GRM2 (1.00) CYSLTR1CYSLTR2GRM2MEN1LMNA

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-20050288346-A1 Acetophenone potentiators of metabotropic glutamate receptors MERCK & CO., INC. 2005-12-29 US disclosed
EP-1556038-A2 ACETOPHENONE POTENTIATORS OF METABOTROPIC GLUTAMATE RECEPTORS Merck & Co., Inc. (US) 2005-07-27 EP disclosed
WO-2004018386-A2 ACETOPHENONE POTENTIATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERCK & CO., INC. (US) 2004-03-04 WO disclosed
WO-2004018386-A2 ACETOPHENONE POTENTIATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERCK & CO., INC. (US) 2004-03-04 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-20050288346-A1 Acetophenone potentiators of metabotropic glutamate receptors GRM2, GRM1, GRIK2 CYSLTR1 429/4885CYSLTR2 357/4885GRM2 1/4885

“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.