SCHEMBL4680870

SCHEMBL4680870

CC1(C)CCc2nc(-c3cn(-c4cc(-c5ccccc5)nc(-c5cccnc5)c4)cn3)ccc2C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.41
CYP19A1 P11511 4/20 0.38
CYP2C9 P11712 4/20 0.36
CYP2C19 P33261 4/20 0.36
CYP2A6 P11509 4/20 0.36
CYP2E1 P05181 3/20 0.36
CYP2B6 P20813 3/20 0.36
CYP3A4 P08684 4/20 0.35
CYP2D6 P10635 1/20 0.35
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
GRM1 Q13255 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
NLRP3 Q96P20 1/20 0.33
CYP11B2 P19099 4/20 0.33
CYP11B1 P15538 3/20 0.33
AKT1 P31749 1/20 0.33
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL4740959 0.93 GRM5 (0.46) GRM5NPC1RAB9ANLRP3CYP11B2
SCHEMBL4683613 0.91 GRM5 (0.37) GRM5CYP2C9CYP2C19CYP2A6CYP2E1
SCHEMBL8245688 0.87 GRM5 (0.33) GRM5CYP2C9CYP2C19CYP2A6CYP2E1
SCHEMBL4686025 0.86 GRM5 (0.40) GRM5CYP19A1CYP2C9CYP2C19CYP2A6
SCHEMBL6103021 0.86 GRM5 (0.40) GRM5NPC1RAB9ANLRP3AKT1
SCHEMBL4683032 0.84 CYP19A1 (0.40) GRM5CYP19A1CYP2C9CYP2C19CYP2A6
SCHEMBL4680906 0.84 ALDH1A1 (0.41) GRM5CYP19A1CYP2C9CYP2C19CYP2A6
SCHEMBL4737979 0.83 GRM5 (0.38) GRM5HSP90AA1HSP90AB1CYP11B2CYP1A2
SCHEMBL13706965 0.81 GRM5 (0.49) GRM5CYP19A1CYP2C19CYP2A6CYP3A4
SCHEMBL4683300 0.80 NPC1 (0.44) GRM5CYP19A1GRM1NPC1RAB9A

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-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
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 2/4885CYP19A1 3810/4885CYP2C9 2973/4885

“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.