SCHEMBL485135

SCHEMBL485135

O=C(O)N1CCC(CO)CC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.45
EPHX2 P34913 1/20 0.39
AKR1C3 P42330 1/20 0.38
ITGB3 P05106 2/20 0.38
ITGA2B P08514 2/20 0.38
HTR2C P28335 1/20 0.38
TACR3 P29371 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TYMP P19971 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
FAAH O00519 1/20 0.34
RAB9A P51151 1/20 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
SCHEMBL30598426 0.92 ALOX5 (0.41) ALOX5EPHX2ALDH1A1POLBL3MBTL1
SCHEMBL3430000 0.86 TACR3 (0.40) ALOX5EPHX2ITGB3ITGA2BTACR3
SCHEMBL1698890 0.86 TACR3 (0.40) ALOX5EPHX2ITGB3ITGA2BTACR3
SCHEMBL2772712 0.86 TACR3 (0.40) ALOX5EPHX2ITGB3ITGA2BTACR3
Dimethylformamide SCHEMBL27779363 0.85 AKR1C3 (0.37) ALOX5EPHX2AKR1C3ITGB3ITGA2B
SCHEMBL27785354 0.83 ALOX5 (0.46) ALOX5EPHX2AKR1C3ITGB3ITGA2B
SCHEMBL30014489 0.82 ALDH1A1 (0.33) ALOX5ITGB3ITGA2BTACR3ALDH1A1
SCHEMBL785724 0.82 AKR1C3 (0.43) AKR1C3ITGB3ITGA2BTYMPMEN1
SCHEMBL13734715 0.80 HRH3 (0.42) ALDH1A1POLB
SCHEMBL17942545 0.79 CPN1 (0.37) ITGB3ITGA2BTACR3MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8426441-B2 Inhibitors of bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2013-04-23 US claimed
US-8183380-B2 2-aminoquinolines HOFFMANN-LA ROCHE INC. (US) 2012-05-22 US claimed
US-20090227570-A1 2-AMINOQUINOLINES HOFFMANN-LA ROCHE, INC. 2009-09-10 US claimed
CN-100528871-C Benzothiazole derivatives as adenosine receptor ligands HOFFMANN LA ROCHE (CH) 2009-08-19 CN claimed
US-20090186898-A1 Inhibitors of bruton's tyrosine kinase ROCHE PALO ALTO LLC 2009-07-23 US claimed
EP-1456196-B1 BENZOTHIOPHENES AS ADENOSINE RECEPTOR MODULATORS HOFFMANN LA ROCHE (CH) 2009-01-07 EP claimed
US-7371748-B2 Benzothiazole derivatives HOFFMAN-LA ROCHE INC. (US) 2008-05-13 US claimed
EP-1636223-B1 BENZOTHIAZOLE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS HOFFMANN LA ROCHE (CH) 2008-03-19 EP claimed
US-7317007-B2 Benzothiazole derivatives with activity as adenosine receptor ligands HOFFMANN-LA ROCHE INC. (US) 2008-01-08 US claimed
CN-1296368-C Benzothiophenes as adenosine receptor modulators HOFFMANN LA ROCHE (CH) 2007-01-24 CN claimed
WO-2005035541-A1 SILICON COMPOUNDS AND THEIR USE AMEDIS PHARMACEUTICALS LTD. (GB) 2005-04-21 WO claimed
CN-1602191-A Compounds and uses thereof for decreasing activity of hormone-sensitive lipase NOVO NORDISK AS (DK) 2005-03-30 CN claimed
CN-1602309-A Benzothiophenes as adenosine receptor modulators HOFFMANN LA ROCHE (CH) 2005-03-30 CN claimed
WO-2005000842-A1 BENZOTHIAZOLE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS F. HOFFMAN-LA ROCHE AG (CH) 2005-01-06 WO claimed
WO-2004113353-A1 SILICON-COMPRISING AMINOTHIAZOLE DERIVATIVES AS CDK INHIBITORS AMEDIS PHARMACEUTICALS LTD. (GB) 2004-12-29 WO claimed
US-20040235915-A1 Benzothiazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2004-11-25 US claimed
EP-1456196-A1 BENZOTHIOPHENES AS ADENOSINE RECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2004-09-15 EP claimed
US-6730670-B2 FOR PROPHYLAXIS OF ILLNESSES BASED ON MODULATION OF ADENOSINE SYSTEM, SUCH AS ALZHEIMER'S DISEASE, PARKINSON'S DISEASE, HUNTINGTON'S DISEASE, NEUROPROTECTION, SCHIZOPHRENIA, ANXIETY, PAIN, RESPIRATION DEFICITS, DEPRESSION, DRUG ADDICTION HOFFMANN-LA ROCHE INC. 2004-05-04 US claimed
US-20030149030-A1 7-phenyl-benzo [b] thiophen amide derivatives HOFFMANN-LA ROCHE INC. 2003-08-07 US claimed
WO-2003053954-A1 BENZOTHIOPHENES AS ADENOSINE RECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2003-07-03 WO claimed

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-20090186898-A1 Inhibitors of bruton's tyrosine kinase BTK, SYK, LYN ALOX5 2688/4885EPHX2 3330/4885AKR1C3 2731/4885
US-20040235915-A1 Benzothiazole derivatives ADORA1, ADORA2A, ADORA3 ALOX5 2599/4885EPHX2 1902/4885AKR1C3 2042/4885
US-20090227570-A1 2-AMINOQUINOLINES HTR5A, HTR2C, HTR2A ALOX5 559/4885EPHX2 2067/4885AKR1C3 1258/4885
US-20030149030-A1 7-phenyl-benzo [b] thiophen amide derivatives ADORA2A, ADORA2B, ADORA1 ALOX5 1142/4885EPHX2 2416/4885AKR1C3 659/4885

“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.