SCHEMBL5039320

SCHEMBL5039320

O=C1CCCc2nc(-c3ccccn3)ccc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.50
GABRG2 P18507 1/20 0.50
GABRB3 P28472 1/20 0.50
GABRA5 P31644 1/20 0.50
KDM4E B2RXH2 3/20 0.46
LMNA P02545 3/20 0.46
TP53 P04637 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
CCR1 P32246 2/20 0.46
CCR5 P51681 2/20 0.46
CCR8 P51685 2/20 0.46
ALOX15 P16050 2/20 0.46
HTT P42858 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
ALPL P05186 1/20 0.46
HSP90AA1 P07900 1/20 0.46
ALPI P09923 1/20 0.46
ALPG P10696 1/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL4433061 0.80 GABRG2 (0.44) GRM5GABRG2GABRB3GABRA5KDM4E
SCHEMBL5039087 0.80 GRM5 (0.57) GRM5KDM4ELMNATP53SMN1; SMN2
SCHEMBL30558432 0.80 GRM5 (0.57) GRM5KDM4ELMNATP53SMN1; SMN2
SCHEMBL4421873 0.77 GRM5 (0.55) GRM5KDM4ELMNATP53SMN1; SMN2
SCHEMBL4342418 0.77 GRM5 (0.70) GRM5CYP1A2
SCHEMBL11648670 0.76 GRM5 (0.50) GRM5GABRG2GABRB3GABRA5KDM4E
SCHEMBL13706982 0.75 CYP2C19 (0.56) GRM5GABRG2GABRB3GABRA5KDM4E
SCHEMBL8283777 0.75 CYP1A2 (0.50) GRM5HSP90AA1CYP1A2ALDH1A1NPC1
SCHEMBL4429739 0.74 MAPT (0.49) KDM4ETP53SMN1; SMN2HTTHSP90AA1
SCHEMBL13707023 0.74 GRM5 (0.53) GRM5GABRG2GABRB3GABRA5KDM4E

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
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-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

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 GRM5 2/4885GABRG2 45/4885GABRB3 57/4885

“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.