SCHEMBL4941945

SCHEMBL4941945

Cc1c(O)cc2c(c1C)C(=O)C(C1CCCC1)C2

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 4/20 0.44
ADRB3 P13945 1/20 0.44
GPR183 P32249 1/20 0.44
ACHE P22303 2/20 0.34
MAPT P10636 2/20 0.33
MAPK1 P28482 1/20 0.33
ATM Q13315 1/20 0.33
ALDH1A1 P00352 2/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
NPC1 O15118 1/20 0.31
NFKB1 P19838 1/20 0.31
RAB9A P51151 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CDK4 P11802 1/20 0.31
CCND1 P24385 1/20 0.31

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
SCHEMBL4950023 0.87 GRM2 (0.39) GRM2ADRB3GPR183ACHEMAPT
SCHEMBL11708654 0.86 NPC1 (0.38) GRM2ADRB3GPR183MAPTALDH1A1
SCHEMBL11654377 0.79 GRM2 (0.50) GRM2ADRB3GPR183ACHEMAPT
SCHEMBL4945422 0.78 GRM2 (0.43) GRM2ADRB3GPR183ACHE
SCHEMBL4944969 0.71 FYN (0.44) GRM2ACHEMAPTALDH1A1ESR1
SCHEMBL11654170 0.70 GRM2 (0.44) GRM2ADRB3GPR183ACHEMAPT
SCHEMBL11027295 0.66 GRM2 (0.50) GRM2ADRB3GPR183ACHEMAPT
SCHEMBL11659608 0.66 GRM2 (0.41) GRM2ADRB3GPR183ACHE
SCHEMBL11704839 0.66 ALDH1A1 (0.48) GRM2ADRB3GPR183ACHEMAPT
SCHEMBL11708448 0.65 MAPT (0.34) GRM2MAPTALDH1A1ESR1ESR2

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-20080312286-A1 Indanone Potentiators of Metabotropic Glutamate Receptors MERCK SHARP & DOHME CORP. 2008-12-18 US disclosed
US-20080312286-A1 Indanone Potentiators of Metabotropic Glutamate Receptors MERCK SHARP & DOHME CORP. 2008-12-18 US disclosed
US-20080312286-A1 Indanone Potentiators of Metabotropic Glutamate Receptors MERCK SHARP & DOHME CORP. 2008-12-18 US disclosed
US-20080096935-A1 Heterocyclic Indanone Potentiators of Metabotropic Glutamate Receptors MERCK SHARP & DOHME CORP. 2008-04-24 US disclosed
EP-1807073-A2 HETEROCYCLIC INDANONE POTENTIATORS OF METABOTROPIC GLUTAMATE RECEPTORS Merck & Co., Inc. (US) 2007-07-18 EP disclosed
EP-1773792-A1 INDANONE POTENTIATORS OF METABOTROPIC GLUTAMATE RECEPTORS Merck & Co., Inc. (US) 2007-04-18 EP disclosed
WO-2006047237-A2 HETEROCYCLIC INDANONE POTENTIATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERCK & CO., INC. (US) 2006-05-04 WO disclosed
WO-2006015158-A1 INDANONE POTENTIATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERCK & CO., INC. (US) 2006-02-09 WO disclosed
WO-2006015158-A1 INDANONE 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 (2 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-20080312286-A1 Indanone Potentiators of Metabotropic Glutamate Receptors GRM2, GRIK2, GRM1 GRM2 1/4885ADRB3 708/4885GPR183 186/4885
US-20080096935-A1 Heterocyclic Indanone Potentiators of Metabotropic Glutamate Receptors GRM2, GRIK2, GRM1 GRM2 1/4885ADRB3 824/4885GPR183 160/4885

“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.