Sugi Predict

Sugi Predict / Compounds / SCHEMBL4686168

SCHEMBL4686168

SCHEMBL4686168

COc1cc(OC)cc(-c2cnc(-c3ccc4c(n3)CCC(C)(C)C4=O)s2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 2/20 0.38
▸ CYP1A1 P04798 3/20 0.34
▸ CYP1B1 Q16678 3/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ CYP2E1 P05181 2/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ CYP2C8 P10632 2/20 0.34
▸ CYP2D6 P10635 2/20 0.34
▸ CYP2A6 P11509 2/20 0.34
▸ CYP2C9 P11712 2/20 0.34
▸ CYP4B1 P13584 2/20 0.34
▸ CYP2B6 P20813 2/20 0.34
▸ CYP3A5 P20815 2/20 0.34
▸ CYP2A7 P20853 2/20 0.34
▸ CYP3A7 P24462 2/20 0.34
▸ CYP2F1 P24903 2/20 0.34
▸ CYP2C18 P33260 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ CYP2J2 P51589 2/20 0.34
▸ CYP4F2 P78329 2/20 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
SCHEMBL4741602 0.91 GRM5 (0.39) GRM5RARBRARGKDM4EMEN1
SCHEMBL4679273 0.86 DHODH (0.41) GRM5CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL13706998 0.84 GRM5 (0.48) GRM5CYP3A4CYP2C9RARBRARG
SCHEMBL4419454 0.82 CYP1A1 (0.36) GRM5CYP1A1CYP1B1CYP1A2CYP2E1
SCHEMBL4680586 0.82 GRM5 (0.49) GRM5CYP3A4CYP2C9RARBRARG
SCHEMBL4680082 0.82 GRM5 (0.41) GRM5CYP3A4CYP2A6
SCHEMBL4686465 0.81 GRM5 (0.38) GRM5
SCHEMBL8242656 0.81 GRM5 (0.40) GRM5CYP3A4CYP2C9RARBRARG
SCHEMBL4684358 0.81 GRM5 (0.40) GRM5CYP1A2CYP3A4CYP2C9RARB
SCHEMBL4430732 0.81 GAA (0.46) GRM5CYP2C19KDM4EALDH1A1SMN1; SMN2

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 2/4885CYP1A1 2636/4885CYP1B1 3093/4885

“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.