SCHEMBL5038832

SCHEMBL5038832

COc1cccc(-c2ccc3c(n2)CCCC3=O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.48
KDM4E B2RXH2 2/20 0.48
TP53 P04637 2/20 0.48
MAPT P10636 2/20 0.48
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
USP2 O75604 1/20 0.48
CASP1 P29466 1/20 0.48
RAB9A P51151 1/20 0.48
CASP7 P55210 1/20 0.48
KMT2A Q03164 1/20 0.48
BRD4 O60885 1/20 0.46
DHODH Q02127 1/20 0.46
WDR5 P61964 1/20 0.46
PDE4B Q07343 1/20 0.45
MAOB P27338 4/20 0.44
TSHR P16473 2/20 0.44
CYP1A2 P05177 1/20 0.44

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
SCHEMBL4432311 0.84 NPC1 (0.44) HSD17B10KDM4ETP53MAPTALDH1A1
SCHEMBL4420091 0.84 BRD4 (0.39) HSD17B10KDM4ETP53MAPTALDH1A1
SCHEMBL5035590 0.83 GRM5 (0.51) KDM4EMAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL8284574 0.80 MAOA (0.45) KDM4EALDH1A1MAOBCYP1A2CYP3A4
SCHEMBL8246660 0.80 GRM5 (0.51) KDM4EMAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL13673591 0.80 GRM5 (0.51) KDM4EMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL8243705 0.80 GRM5 (0.44) MAPTALDH1A1SMN1; SMN2RAB9ABRD4
SCHEMBL4420855 0.80 CYP2C19 (0.50) TP53ALDH1A1DHODHPDE4BMAOB
SCHEMBL4433223 0.80 MAP4K4 (0.41) HSD17B10KDM4ETP53MAPTALDH1A1
SCHEMBL4682467 0.79 HSD17B1 (0.45) TP53MAPTALDH1A1MEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1723116-B1 TETRAHYDROQUINOLINONES AND THEIR USE AS ANTAGONISTS OF METABOTROPIC GLUTAMATE RECEPTORS MERZ PHARMA GMBH & CO KGAA (DE) 2008-09-24 EP claimed
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-20090227582-A1 Tetrahydroquinolinones and their use as modulators of metabotropic glutamate receptors MERZ PHARMA GMBH & CO. KGAA (DE) 2009-09-10 US disclosed
US-7550482-B2 Tetrahydroquinolones and their use as modulators of metabotropic glutamate receptors MERZ PHARMA GMBH & CO. KGAA (DE) 2009-06-23 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
WO-2007023242-A1 TETRAHYDROQUINOLINONES AND THEIR USE AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERZ PHARMA GMBH & CO. KGAA (DE) 2007-03-01 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

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-20090227582-A1 Tetrahydroquinolinones and their use as modulators of metabotropic glutamate receptors GRM1, GRM5, GRM2 HSD17B10 2400/4885KDM4E 1986/4885TP53 4860/4885

“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.