Sugi Predict

Sugi Predict / Compounds / SCHEMBL4333398

SCHEMBL4333398

SCHEMBL4333398

CCCC1CCC(=O)CC1=O

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.36
▸ RAB9A P51151 4/20 0.36
▸ CASP3 P42574 1/20 0.36
▸ SENP8 Q96LD8 1/20 0.36
▸ NLRP3 Q96P20 1/20 0.36
▸ SENP7 Q9BQF6 1/20 0.36
▸ SENP6 Q9GZR1 1/20 0.36
▸ HCAR2 Q8TDS4 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ CYP19A1 P11511 1/20 0.32
▸ TLR4 O00206 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ GAA P10253 1/20 0.31
▸ CYP1A2 P05177 2/20 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
SCHEMBL10971582 0.88 CYP1A2 (0.36) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL561985 0.86 CYP1A2 (0.42) SMN1; SMN2ALDH1A1CYP19A1CYP1A2
SCHEMBL9716566 0.85 CYP1A2 (0.45) SMN1; SMN2CYP19A1CYP1A2
SCHEMBL9382717 0.83 — —
SCHEMBL2690460 0.82 — —
SCHEMBL19302162 0.82 — —
SCHEMBL10976699 0.78 MAPT (0.32) —
SCHEMBL14818865 0.76 ALDH1A1 (0.40) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL10972767 0.75 FAAH (0.42) —
SCHEMBL12322590 0.74 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7598384-B2 Tetrahydroquinolinones and their use as antagonists of metabotropic glutamate receptors MERZ PHARMA GMBH & CO. KGAA (DE) 2009-10-06 — — US disclosed
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
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-2007023242-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
EP-1723116-A2 TETRAHYDROQUINOLINONES AND THEIR USE AS ANTAGONISTS OF METABOTROPIC GLUTAMATE RECEPTORS Merz Pharma GmbH & Co. KGaA (DE) 2006-11-22 — — EP 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
US-20050288284-A1 Tetrahydroquinolones and their use as modulators of metabotropic glutamate receptors MERZ PHARMA GMBH & CO. KGAA (DE) 2005-12-29 — — US disclosed
WO-2005082856-A2 TETRAHYDROQUINOLINONES AND THEIR USE AS ANTAGONISTS OF METABOTROPIC GLUTAMATE RECEPTORS MERZ PHARMA GMBH & CO. KGAA (DE) 2005-09-09 — — WO disclosed
US-20050197361-A1 Specific binding is extremely high; low toxicity; high degree of activity; 2-(5-m-Tolyl-thiazol-2-yl )-7,8-dihydro-6H-quinolin-5-one, acute and/or chronic neurological disorders MERZ PHARMA GMBH & CO. KGAA (DE) 2005-09-08 — — US disclosed
US-4668799-A Anti-hepatitis and anti-cirrhotic 1,3-dithiol-2-ylidene derivatives, and pharmaceutical compositions therefor BANYU PHARMACEUTICAL CO., LTD. (JP) 1987-05-26 — — US disclosed
EP-0210284-A1 1,3-Dithiol-2-ylidene derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1987-02-04 — — EP disclosed
US-4546104-A Pyrazolopyridine cycloalkanones and process for their preparation ICI AMERICAS INC. (US) 1985-10-08 — — US disclosed
EP-0141608-A2 Pyrazolopyridine cycloalkanone derivatives ICI AMERICAS INC. (US) 1985-05-15 — — 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 (4 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 NPC1 1461/4885RAB9A 1065/4885CASP3 3997/4885
US-20060004001-A1 Tetrahydroquinolones and their use as modulators of metabotropic glutamate receptors GRM1, GRM5, GRM2 NPC1 1212/4885RAB9A 1167/4885CASP3 3983/4885
US-20050197361-A1 Specific binding is extremely high; low toxicity; high degree of activity; 2-(5-m-Tolyl-thiazol-2-yl )-7,8-dihydro-6H-quinolin-5-one, acute and/or chronic neurological disorders GRM5, GRIK5, GRIN2C NPC1 1137/4885RAB9A 1215/4885CASP3 3918/4885
US-20050288284-A1 Tetrahydroquinolones and their use as modulators of metabotropic glutamate receptors GRM1, GRM5, GRM2 NPC1 1251/4885RAB9A 1111/4885CASP3 3924/4885

“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.