SCHEMBL4423266

SCHEMBL4423266

O=C1CC(c2ccccc2)Cc2[nH]c(=O)ccc21

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.55
ADORA1 P30542 1/20 0.55
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
HSD17B10 Q99714 1/20 0.49
MAPT P10636 4/20 0.46
GAA P10253 1/20 0.46
RXFP1 Q9HBX9 5/20 0.45
KMT2A Q03164 2/20 0.45
PIM1 P11309 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
LMNA P02545 1/20 0.45
RAB9A P51151 1/20 0.45
MAP1LC3B Q9GZQ8 1/20 0.44
MEN1 O00255 1/20 0.44
TP53 P04637 4/20 0.44
POLB P06746 1/20 0.44
THRB P10828 1/20 0.44
CYP19A1 P11511 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
SCHEMBL7683107 0.78 ADORA2A (0.49) ADORA2AADORA1ALOX15TSHRHSD17B10
SCHEMBL7683273 0.78 ADORA2A (0.59) ADORA2AADORA1ALOX15TSHRHSD17B10
Hydrochloric Acid SCHEMBL7690124 0.73 ADORA2A (0.36) ADORA2AADORA1ALOX15TSHRHSD17B10
Hydrochloric Acid SCHEMBL7690127 0.73 ADORA2A (0.36) ADORA2AADORA1ALOX15TSHRHSD17B10
SCHEMBL6024691 0.70 BUB1 (0.38) ALOX15TSHRHSD17B10MAPTGAA
SCHEMBL6124100 0.69 CYP19A1 (0.77) TSHRHSD17B10MAPTGAAKMT2A
SCHEMBL21954834 0.69 MAPT (0.57) MAPTGAAKMT2ALMNAMAP1LC3B
SCHEMBL7681249 0.68 ALOX15 (0.53) ADORA2AADORA1ALOX15TSHRHSD17B10
SCHEMBL7686930 0.68 ALOX15 (0.50) ADORA2AADORA1ALOX15TSHRHSD17B10
SCHEMBL449180 0.67 MAPT (0.82) MAPTGAAKMT2ALMNAMAP1LC3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7598384-B2 Tetrahydroquinolinones and their use as antagonists of metabotropic glutamate receptors MERZ PHARMA GMBH & CO. KGAA (DE) 2009-10-06 US disclosed
US-7598384-B2 Tetrahydroquinolinones and their use as antagonists of metabotropic glutamate receptors MERZ PHARMA GMBH & CO. KGAA (DE) 2009-10-06 US disclosed
US-7598384-B2 Tetrahydroquinolinones and their use as antagonists of metabotropic glutamate receptors MERZ PHARMA GMBH & CO. KGAA (DE) 2009-10-06 US disclosed
EP-1723116-B1 TETRAHYDROQUINOLINONES AND THEIR USE AS ANTAGONISTS OF METABOTROPIC GLUTAMATE RECEPTORS MERZ PHARMA GMBH & CO KGAA (DE) 2008-09-24 EP disclosed
EP-1723116-B1 TETRAHYDROQUINOLINONES AND THEIR USE AS ANTAGONISTS OF METABOTROPIC GLUTAMATE RECEPTORS MERZ PHARMA GMBH & CO KGAA (DE) 2008-09-24 EP disclosed
EP-1723116-A2 TETRAHYDROQUINOLINONES AND THEIR USE AS ANTAGONISTS OF METABOTROPIC GLUTAMATE RECEPTORS Merz Pharma GmbH & Co. KGaA (DE) 2006-11-22 EP disclosed
WO-2005082856-A2 TETRAHYDROQUINOLINONES AND THEIR USE AS ANTAGONISTS OF METABOTROPIC GLUTAMATE RECEPTORS MERZ PHARMA GMBH & CO. KGAA (DE) 2005-09-09 WO disclosed
WO-2005082856-A2 TETRAHYDROQUINOLINONES AND THEIR USE AS ANTAGONISTS OF METABOTROPIC GLUTAMATE RECEPTORS MERZ PHARMA GMBH & CO. KGAA (DE) 2005-09-09 WO disclosed
US-20050197361-A1 Specific binding is extremely high; low toxicity; high degree of activity; 2-(5-m-Tolyl-thiazol-2-yl )-7,8-dihydro-6H-quinolin-5-one, acute and/or chronic neurological disorders MERZ PHARMA GMBH & CO. KGAA (DE) 2005-09-08 US disclosed
US-6350749-B1 SODIUM CHANNEL MODULATORS, ANTIARRHYTHMIA AND HYPOTENSIVE AGENTS; CARDIOVASCULAR DISORDERS, ANGINA PECTORIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-02-26 US disclosed
EP-1057812-A1 AMINOGUANIDINE HYDRAZONE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND DRUGS THEREOF Takeda Chemical Industries, Ltd. (JP) 2000-12-06 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-20050197361-A1 Specific binding is extremely high; low toxicity; high degree of activity; 2-(5-m-Tolyl-thiazol-2-yl )-7,8-dihydro-6H-quinolin-5-one, acute and/or chronic neurological disorders GRM5, GRIK5, GRIN2C ADORA2A 357/4885ADORA1 741/4885ALOX15 2786/4885

“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.