SCHEMBL4937170

SCHEMBL4937170

CCCc1c(OCc2cccc(-c3ccccc3C#N)c2)ccc(C(C)=O)c1O

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 11/20 0.52
GRM2 Q14416 9/20 0.52
CYSLTR2 Q9NS75 3/20 0.49
FFAR1 O14842 2/20 0.47
MAPT P10636 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CTSD P07339 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
NFKB1 P19838 1/20 0.43
PPARG P37231 1/20 0.43
BLM P54132 1/20 0.43
PPARD Q03181 1/20 0.43
PPARA Q07869 1/20 0.43

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
SCHEMBL5318351 0.95 CYSLTR1 (0.48) CYSLTR1GRM2CYSLTR2FFAR1MAPT
SCHEMBL5318352 0.88 CYSLTR1 (0.44) CYSLTR1GRM2CYSLTR2FFAR1MAPT
SCHEMBL3166919 0.84 CYSLTR1 (0.62) CYSLTR1GRM2CYSLTR2MAPTCYP2C9
SCHEMBL10730502 0.83 CYSLTR1 (0.58) CYSLTR1GRM2CYSLTR2MAPTCYP2C9
SCHEMBL10751332 0.83 CYSLTR1 (0.58) CYSLTR1GRM2CYSLTR2MAPTCYP2C9
SCHEMBL3172561 0.83 CYSLTR1 (0.50) CYSLTR1GRM2CYSLTR2MAPTCYP2C9
SCHEMBL3168116 0.82 CYSLTR1 (0.49) CYSLTR1GRM2CYSLTR2MAPTCYP2C9
SCHEMBL3174134 0.81 CYSLTR1 (0.51) CYSLTR1GRM2CYSLTR2MAPTCYP2C9
SCHEMBL2895915 0.80 CYSLTR1 (0.47) CYSLTR1GRM2CYSLTR2MAPTCYP2C9
SCHEMBL3163657 0.80 CYSLTR1 (0.68) CYSLTR1GRM2CYSLTR2MAPTCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293684-A1 Heterocyclic Acetophenone Potentiators of Metabotropic Glutamate Receptors MERCK SHARP & DOHME CORP. 2008-11-27 US claimed
EP-1773774-A2 HETEROCYCLIC ACETOPHENONE POTENTIATORS OF METABOTROPIC GLUTAMATE RECEPTORS Merck & Co., Inc. (US) 2007-04-18 EP claimed
WO-2006014918-A2 HETEROCYCLIC ACETOPHENONE POTENTIATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERCK & CO., INC. (US) 2006-02-09 WO claimed
US-20080293684-A1 Heterocyclic Acetophenone Potentiators of Metabotropic Glutamate Receptors MERCK SHARP & DOHME CORP. 2008-11-27 US disclosed
US-20080293684-A1 Heterocyclic Acetophenone Potentiators of Metabotropic Glutamate Receptors MERCK SHARP & DOHME CORP. 2008-11-27 US disclosed
US-20080293684-A1 Heterocyclic Acetophenone Potentiators of Metabotropic Glutamate Receptors MERCK SHARP & DOHME CORP. 2008-11-27 US disclosed
EP-1773774-A2 HETEROCYCLIC ACETOPHENONE POTENTIATORS OF METABOTROPIC GLUTAMATE RECEPTORS Merck & Co., Inc. (US) 2007-04-18 EP disclosed
WO-2006014918-A2 HETEROCYCLIC ACETOPHENONE POTENTIATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERCK & CO., INC. (US) 2006-02-09 WO disclosed
WO-2006014918-A2 HETEROCYCLIC ACETOPHENONE POTENTIATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERCK & CO., INC. (US) 2006-02-09 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-20080293684-A1 Heterocyclic Acetophenone Potentiators of Metabotropic Glutamate Receptors GRM2, GRM1, GRIK2 CYSLTR1 303/4885GRM2 1/4885CYSLTR2 220/4885

“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.