SCHEMBL4423249

SCHEMBL4423249

CCC1CC(C)C(=O)c2ccc(-c3ccccc3OC)nc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.43
ADORA3 P0DMS8 4/20 0.39
ADORA1 P30542 2/20 0.39
GRM2 Q14416 1/20 0.39
CYP19A1 P11511 3/20 0.38
ABL1 P00519 1/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
RAB9A P51151 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PTPRC P08575 1/20 0.36
PTPN1 P18031 1/20 0.36
HPGD P15428 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CDK1 P06493 1/20 0.36
MAPKAPK2 P49137 1/20 0.36
ALDH1A1 P00352 1/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL4423253 1.00 ACHE (0.43) ACHEADORA3ADORA1GRM2CYP19A1
SCHEMBL4432720 0.92 CYP19A1 (0.40) ACHEADORA3ADORA1GRM2CYP19A1
SCHEMBL4432725 0.92 CYP19A1 (0.40) ACHEADORA3ADORA1GRM2CYP19A1
SCHEMBL4421925 0.80 KDM1A (0.40) ACHECYP19A1GSK3AGSK3BRAB9A
SCHEMBL27661699 0.76 ADORA3 (0.37) ACHEADORA3ADORA1GRM2CYP19A1
SCHEMBL27681294 0.72 ADORA3 (0.38) ACHEADORA3ADORA1GRM2ABL1
SCHEMBL5045924 0.70 KDM1A (0.40) CYP19A1GSK3AGSK3BRAB9AHPGD
SCHEMBL4423409 0.70 KDM1A (0.40) CYP19A1GSK3AGSK3BRAB9AHPGD
SCHEMBL27661682 0.69 PTPN1 (0.37) ACHEADORA3ADORA1GRM2GSK3A
SCHEMBL4423540 0.67 GRM5 (0.47) GRM2RAB9AL3MBTL1HPGDSMN1; SMN2

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-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-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
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

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 ACHE 756/4885ADORA3 802/4885ADORA1 741/4885

“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.