SCHEMBL4683064

SCHEMBL4683064

CC1(C)CCc2nc(-c3nc(-c4cccnc4)c(F)n3-c3cccnc3)ccc2C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 2/20 0.39
GRM5 P41594 2/20 0.37
CYP11B2 P19099 2/20 0.35
CYP11B1 P15538 1/20 0.35
PARP10 Q53GL7 1/20 0.34
PARP11 Q9NR21 1/20 0.34
MAPT P10636 1/20 0.34
ALOX12 P18054 1/20 0.32
AKT1 P31749 3/20 0.32
CYP3A4 P08684 3/20 0.32
CYP2C9 P11712 3/20 0.32
CYP2D6 P10635 2/20 0.32
AKT2 P31751 2/20 0.32
AKT3 Q9Y243 2/20 0.32
MDM2 Q00987 1/20 0.32
PIM1 P11309 1/20 0.32
KMT2A Q03164 2/20 0.31
PTGS2 P35354 1/20 0.31
GSR P00390 1/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL4680738 0.97 GRM5 (0.39) GRM1GRM5CYP11B2CYP11B1PARP10
SCHEMBL4683600 0.95 GRM5 (0.40) GRM1GRM5CYP11B2CYP11B1PARP10
SCHEMBL4679352 0.88 GRM5 (0.46) GRM5CYP2C19ALDH1A1
SCHEMBL4682564 0.83 GRM5 (0.37) GRM5PARP10PARP11AKT1CYP3A4
SCHEMBL6103711 0.82 GRM5 (0.41) GRM5CYP3A4CYP2C9MDM2CYP1A2
SCHEMBL15071808 0.81 CYP11B2 (0.36) GRM1CYP11B2CYP11B1MAPTAKT1
SCHEMBL13706965 0.81 GRM5 (0.49) GRM1GRM5CYP11B2CYP11B1PARP10
SCHEMBL4683224 0.77 GRM1 (0.42) GRM1GRM5CYP11B2CYP11B1PARP10
SCHEMBL6103251 0.76 GRM5 (0.46) GRM5MAPTAKT1CYP3A4CYP2C9
SCHEMBL4678329 0.74 USP8 (0.44) GRM1GRM5CYP11B2MAPTAKT1

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 9 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
US-20130165472-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 US disclosed
US-20130165472-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 US disclosed
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 (2 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-20130165472-A1 HETEROARYLS AND USES THEREOF PIK3R4, VPS4B, PIK3C2A GRM1 3692/4885GRM5 4191/4885CYP11B2 1320/4885
US-20060004001-A1 Tetrahydroquinolones and their use as modulators of metabotropic glutamate receptors GRM1, GRM5, GRM2 GRM1 1/4885GRM5 2/4885CYP11B2 1254/4885

“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.