SCHEMBL4424331

SCHEMBL4424331

O=C1CC2(CCCCC2)Cc2nc(-c3ccccc3)ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
HSD17B10 Q99714 2/20 0.37
CYP2C19 P33261 1/20 0.36
GRM5 P41594 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
KMT2A Q03164 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34
MEN1 O00255 1/20 0.33
RAB9A P51151 1/20 0.33
BUB1 O43683 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
CASP1 P29466 1/20 0.33

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
SCHEMBL4432701 0.82 ALDH1A1 (0.39) TSHRHSD17B10CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL4433223 0.80 MAP4K4 (0.41) TSHRHSD17B10CYP2C19RXFP1ALDH1A1
Hydrochloric Acid SCHEMBL4424104 0.80 MAP4K4 (0.41) TSHRHSD17B10CYP2C19RXFP1ALDH1A1
SCHEMBL11644246 0.78 CYP2C19 (0.60) HSD17B10CYP2C19GRM5RXFP1ALDH1A1
SCHEMBL5039087 0.76 GRM5 (0.57) TSHRHSD17B10GRM5ALDH1A1SMN1; SMN2
SCHEMBL30558432 0.76 GRM5 (0.57) TSHRHSD17B10GRM5ALDH1A1SMN1; SMN2
SCHEMBL4423650 0.76 GRM5 (0.37) CYP2C19GRM5ALDH1A1
SCHEMBL11643793 0.76 GRM5 (0.45) TSHRHSD17B10GRM5ALDH1A1KMT2A
SCHEMBL4424279 0.75 GRM5 (0.51) GRM5ALDH1A1SMN1; SMN2RAB9AHPGD
Hydrochloric Acid SCHEMBL4429648 0.74 GRM5 (0.50) GRM5ALDH1A1SMN1; SMN2RAB9AHPGD

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 TSHR 1005/4885HSD17B10 2999/4885CYP2C19 3013/4885

“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.