SCHEMBL4426519

SCHEMBL4426519

CC1CC(C)(C)C(=O)c2ccc(-c3ccccc3)nc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.34
ALDH1A1 P00352 4/20 0.34
MEN1 O00255 2/20 0.33
RAB9A P51151 2/20 0.33
KMT2A Q03164 2/20 0.33
MAP2K3 P46734 1/20 0.33
KDM4E B2RXH2 3/20 0.33
HSD11B1 P28845 1/20 0.33
P2RX7 Q99572 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 2/20 0.32
NPC1 O15118 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PDE4B Q07343 1/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
IL4I1 Q96RQ9 1/20 0.31
CYP1A2 P05177 1/20 0.31
GAA P10253 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
SCHEMBL4432514 0.84 ALDH1A1 (0.39) ALDH1A1MEN1RAB9AKMT2AKDM4E
SCHEMBL4425778 0.77 BRD4 (0.35) GRM5
SCHEMBL13706957 0.71 GRM5 (0.60) GRM5ALDH1A1MEN1RAB9AKMT2A
Hydrochloric Acid SCHEMBL4429413 0.70 GRM5 (0.59) GRM5ALDH1A1MEN1RAB9AKMT2A
SCHEMBL5038941 0.70 LMNA (0.38) ALDH1A1MEN1RAB9AKMT2AKDM4E
SCHEMBL11644246 0.64 CYP2C19 (0.60) GRM5ALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL23177244 0.62 MEN1 (0.38) MEN1RAB9AKMT2AHSD11B1
SCHEMBL31460555 0.61 RAB9A (0.48) ALDH1A1MEN1RAB9AKMT2AMAP2K3
SCHEMBL11643793 0.60 GRM5 (0.45) GRM5ALDH1A1MEN1RAB9AKMT2A
SCHEMBL2189712 0.59 ALDH1A1 (0.56) ALDH1A1MEN1RAB9AKMT2AKDM4E

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 GRM5 1/4885ALDH1A1 1519/4885MEN1 4608/4885

“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.