SCHEMBL4682489

SCHEMBL4682489

O=C1CCCc2nc(-c3nnn(-c4cc(-c5cccnc5)cc(C(F)(F)F)c4)n3)ccc21

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.46
CHRNB2 P17787 3/20 0.39
CHRNA5 P30532 3/20 0.39
CHRNA4 P43681 3/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
MAPT P10636 1/20 0.37
CYP1A2 P05177 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
EGFR P00533 1/20 0.35
FGFR1 P11362 1/20 0.35
KDR P35968 1/20 0.35

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
SCHEMBL4678648 0.86 GRM5 (0.44) GRM5CHRNB2CHRNA5CHRNA4NPC1
SCHEMBL4684197 0.85 GRM5 (0.43) GRM5CHRNB2CHRNA5CHRNA4NPC1
SCHEMBL4679314 0.80 GRM5 (0.41) GRM5CYP11B2
SCHEMBL4683094 0.79 CYP11B1 (0.35) GRM5CYP1A2CYP11B1CYP11B2EGFR
SCHEMBL4686049 0.77 GRM5 (0.40) GRM5NPC1MAPT
SCHEMBL8283777 0.73 CYP1A2 (0.50) GRM5NPC1CYP1A2CYP11B1CYP11B2
SCHEMBL8243465 0.73 GRM5 (0.43) GRM5CHRNB2CHRNA5CHRNA4NPC1
SCHEMBL4685622 0.71 ABL1 (0.32)
SCHEMBL13706987 0.70 PARP10 (0.46) GRM5
SCHEMBL4683300 0.70 NPC1 (0.44) GRM5CHRNB2CHRNA5CHRNA4NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 2/4885CHRNB2 368/4885CHRNA5 75/4885

“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.