SCHEMBL4804572

SCHEMBL4804572

O=C1CCC2CCCC=C2N1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.35
CRBN Q96SW2 18/20 0.34
DDB1 Q16531 16/20 0.34
ALDH1A1 P00352 1/20 0.31
CHRM2 P08172 1/20 0.31
OPRM1 P35372 1/20 0.31
IKZF3 Q9UKT9 1/20 0.31
CYP1A2 P05177 1/20 0.31
TSHR P16473 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL9731788 0.94 MAPT (0.34) MAPTCRBNDDB1
SCHEMBL1137425 0.82 MAPT (0.36) MAPTCRBN
SCHEMBL9055828 0.72 CRBN (0.37) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL29640501 0.72 MAPT (0.38) MAPT
SCHEMBL11738873 0.71 MAPT (0.36) MAPT
SCHEMBL7098448 0.70 CRBN (0.36) CRBNDDB1
SCHEMBL15547045 0.69
SCHEMBL10620948 0.69 CRBN (0.42) CRBNDDB1
SCHEMBL5946816 0.69 DDB1 (0.32) CRBNDDB1
SCHEMBL5635896 0.69 SRD5A1 (0.33) CRBN

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118324695-A Method for selectively preparing quinoline-2-ketone or 3, 4-dihydro-quinoline-2-ketone compound under regulation of photocatalyst 浙江工业大学 2024-07-12 CN disclosed
CN-117820289-A Cyclic sulfone compound, salt, preparation method and application thereof 中国人民解放军海军第九七一医院 2024-04-05 CN disclosed
US-7417032-B2 D-xylopyranosyl-phenyl-substituted cycles, medicaments containing such compounds, their use and process for their manufacture BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-08-26 US disclosed
US-20070054912-A1 Modulators of acetylcholine receptors ASTLES PETER C 2007-03-08 US disclosed
US-7148236-B2 Modulators of acetylcholine receptors MERCK & CO., INC. (US) 2006-12-12 US disclosed
US-20060035841-A1 D-xylopyranosyl-phenyl-substituted cycles, medicaments containing such compounds, their use and process for their manufacture BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-02-16 US disclosed
US-20060025349-A1 D-xylopyranosyl-phenyl-substituted cycles, medicaments containing such compounds, their use and process for their manufacture BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-02-02 US disclosed
US-20050182088-A1 Modulators of acetylcholine receptors MERCK SHARP & DOHME CORP. 2005-08-18 US disclosed
EP-1250340-B1 METHODS AND COMPOUNDS FOR INHIBITING MRP1 LILLY CO ELI (US) 2004-11-17 EP disclosed
US-20040176405-A1 Methods and compounds for inhibitting MRP1 KROIN JULIAN (US) 2004-09-09 US disclosed
US-5622961-A PROSTATE CANCER, SKIN DISORDERS, BALDNESS ELI LILLY AND COMPANY (US) 1997-04-22 US disclosed
US-5578724-A INHIBITORS OF 5-ALPHA-REDUCTASE ELI LILLY AND COMPANY (US) 1996-11-26 US disclosed
WO-1996035422-A1 METHODS FOR INHIBITING BONE LOSS ELI LILLY AND COMPANY (US) 1996-11-14 WO disclosed
EP-0742010-A2 Benzoquinolin-3-ones to inhibit bone loss ELI LILLY AND COMPANY (US) 1996-11-13 EP disclosed
EP-0733365-A2 Use of benzoquinolin-3-ones for the treatment and prevention of prostatic cancer ELI LILLY AND COMPANY (US) 1996-09-25 EP disclosed
US-5550134-A ADMINISTERING TO A MAMMAL FROM A SERIES OF BENZOQUINOLIN-3-ONE COMPOUNDS ELI LILLY AND COMPANY (US) 1996-08-27 US disclosed
WO-1996009046-A1 5α-REDUCTASE INHIBITORS ELI LILLY AND COMPANY (US) 1996-03-28 WO disclosed
EP-0703221-A1 5 alpha-reductase Inhibitors ELI LILLY AND COMPANY (US) 1996-03-27 EP disclosed
WO-1995021824-A1 6-ARYL-(METHYL- OR METHYLIDENE)-QUINOL-2-ONE DERIVATIVES AS VOLTAGE GATED POTASSIUM CHANNEL BLOCKERS JOHN WYETH & BROTHER LTD (GB) 1995-08-17 WO disclosed
WO-1995021825-A1 6-ARYL-(METHYL- OR METHYLIDONE)-QUINOLINE DERIVATIVES AS VOLTAGE-GATED POTASSIUM CHANNEL BLOCKERS JOHN WYETH & BROTHER LTD. (GB) 1995-08-17 WO 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 (5 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-20040176405-A1 Methods and compounds for inhibitting MRP1 ABCC1, ABCB11, ABCB1 MAPT 4012/4885CRBN 4264/4885DDB1 452/4885
US-20050182088-A1 Modulators of acetylcholine receptors CHRM3, CHRNG, CHRM5 MAPT 826/4885CRBN 1869/4885DDB1 2381/4885
US-20060035841-A1 D-xylopyranosyl-phenyl-substituted cycles, medicaments containing such compounds, their use and process for their manufacture SLC5A1, SLC5A2, SLC2A1 MAPT 2337/4885CRBN 4172/4885DDB1 2445/4885
US-20060025349-A1 D-xylopyranosyl-phenyl-substituted cycles, medicaments containing such compounds, their use and process for their manufacture SLC5A1, SLC5A2, SLC2A1 MAPT 2411/4885CRBN 4303/4885DDB1 3279/4885
US-20070054912-A1 Modulators of acetylcholine receptors CHRM3, CHRNG, CHRM5 MAPT 3360/4885CRBN 1227/4885DDB1 1997/4885

“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.