Sugi Predict

Sugi Predict / Compounds / SCHEMBL4680210

SCHEMBL4680210

SCHEMBL4680210

O=C1CCCc2nc(-c3cn(-c4cc(-c5cccc(F)c5)nc(-c5cccc(F)c5)c4)cn3)ccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 4/20 0.42
▸ KDM4E B2RXH2 4/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ KDM5B Q9UGL1 1/20 0.36
▸ HPGD P15428 3/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ USP2 O75604 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ MAOA P21397 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ CDC7 O00311 1/20 0.34
▸ PIM1 P11309 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ HIPK2 Q9H2X6 1/20 0.34
▸ CLK4 Q9HAZ1 1/20 0.34

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
SCHEMBL4680527 0.94 GRM5 (0.42) GRM5KDM4EALDH1A1NPC1RAB9A
SCHEMBL4421918 0.89 GRM5 (0.46) GRM5KDM4EALDH1A1HPGDUSP2
SCHEMBL4682833 0.89 GRM5 (0.42) GRM5KDM4EALDH1A1NPC1RAB9A
SCHEMBL4683106 0.85 MAPT (0.39) GRM5KDM4EALDH1A1NPC1RAB9A
SCHEMBL4679880 0.84 CYP2C19 (0.40) KDM4EALDH1A1SMN1; SMN2HPGDTP53
SCHEMBL4737979 0.83 GRM5 (0.38) GRM5KDM5BCDC7PIM1GSK3B
SCHEMBL13673591 0.82 GRM5 (0.51) GRM5KDM4EALDH1A1NPC1RAB9A
SCHEMBL4683032 0.82 CYP19A1 (0.40) GRM5KDM4EALDH1A1NPC1RAB9A
SCHEMBL4683007 0.82 GRM5 (0.38) GRM5KDM4EALDH1A1NPC1RAB9A
SCHEMBL4681114 0.79 CYP2C19 (0.36) ALDH1A1NPC1RAB9ASMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1943247-A1 TETRAHYDROQUINOLINONES AND THEIR USE AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Merz Pharma GmbH & Co.KGaA (DE) 2008-07-16 — — EP claimed
WO-2007023245-A1 TETRAHYDROQUINOLINONES AND THEIR USE AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERZ PHARMA GMBH & CO. KGAA (DE) 2007-03-01 — — WO claimed
US-20060004001-A1 Tetrahydroquinolones and their use as modulators of metabotropic glutamate receptors MERZ PHARMA GMBH & CO., KGAA (DE) 2006-01-05 — — US claimed
EP-1943247-A1 TETRAHYDROQUINOLINONES AND THEIR USE AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Merz Pharma GmbH & Co.KGaA (DE) 2008-07-16 — — EP disclosed
WO-2007023245-A1 TETRAHYDROQUINOLINONES AND THEIR USE AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERZ PHARMA GMBH & CO. KGAA (DE) 2007-03-01 — — WO disclosed
US-20060004001-A1 Tetrahydroquinolones and their use as modulators of metabotropic glutamate receptors MERZ PHARMA GMBH & CO., KGAA (DE) 2006-01-05 — — 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-20060004001-A1 Tetrahydroquinolones and their use as modulators of metabotropic glutamate receptors GRM1, GRM5, GRM2 GRM5 2/4885KDM4E 1651/4885ALDH1A1 3118/4885

“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.