SCHEMBL2809581

SCHEMBL2809581

CC(C)(C)OC(=O)N1Cc2ccc(N3CCOCC3)cc2C1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABHD6 Q9BV23 5/20 0.67
PIK3CA P42336 1/20 0.56
MTOR P42345 1/20 0.56
HDAC1 Q13547 1/20 0.55
NAMPT P43490 1/20 0.53
ESR2 Q92731 1/20 0.52
GPR119 Q8TDV5 2/20 0.52
USP2 O75604 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NR1H2 P55055 1/20 0.51
USP30 Q70CQ3 1/20 0.50
AOC3 Q16853 1/20 0.50
HTR1A P08908 1/20 0.48
ADRA2A P08913 1/20 0.48
ADRA2B P18089 1/20 0.48
ADRA2C P18825 1/20 0.48
DRD1 P21728 1/20 0.48
HRH2 P25021 1/20 0.48
HTR1B P28222 1/20 0.48
HTR2A P28223 1/20 0.48

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
SCHEMBL13619096 0.94 ABHD6 (0.61) ABHD6PIK3CAMTORHDAC1NAMPT
SCHEMBL1010120 0.92 NR1H2 (0.63) ABHD6PIK3CAMTORHDAC1NAMPT
SCHEMBL15000510 0.92 ESR2 (0.65) ABHD6PIK3CAMTORHDAC1NAMPT
SCHEMBL3873145 0.88 ABHD6 (0.65) ABHD6HDAC1NAMPTESR2GPR119
SCHEMBL38652842 0.88 ABHD6 (0.62) ABHD6HDAC1NAMPTESR2GPR119
SCHEMBL383293 0.87 TMEM97 (0.62) ABHD6HDAC1NAMPTESR2GPR119
SCHEMBL31070584 0.87 ABHD6 (0.64) ABHD6HDAC1NAMPTESR2GPR119
SCHEMBL14959464 0.86 ABHD6 (0.68) ABHD6SMN1; SMN2AOC3HTR1AADRA2A
SCHEMBL3276974 0.85 ABHD6 (0.50) ABHD6PIK3CAMTORNAMPTESR2
SCHEMBL3277422 0.85 ABHD6 (0.50) ABHD6PIK3CAMTORNAMPTESR2

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
WO-2022251343-A2 CDGSH IRON SULFUR DOMAIN 2 ACTIVATORS AND USE THEREOF NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2022-12-01 WO disclosed
US-20130149281-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2013-06-13 US disclosed
US-8445527-B2 Organic compounds and their uses NOVARTIS AG (CH) 2013-05-21 US disclosed
US-20120231998-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2012-09-13 US disclosed
US-20120231998-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2012-09-13 US disclosed
US-8211932-B2 Organic compounds and their uses NOVARTIS AG (CH) 2012-07-03 US disclosed
US-8211932-B2 Organic compounds and their uses NOVARTIS AG (CH) 2012-07-03 US disclosed
US-20100331243-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2010-12-30 US disclosed
US-20100331243-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2010-12-30 US disclosed
US-7825152-B2 serine protease inhibitors, for the treatment of hepatitis c virus infections NOVARTIS AG (CH) 2010-11-02 US disclosed
US-20100240638-A1 Organic Compounds and their uses NOVARTIS AG (CH) 2010-09-23 US disclosed
US-20100240638-A1 Organic Compounds and their uses NOVARTIS AG (CH) 2010-09-23 US disclosed
US-20100240638-A1 Organic Compounds and their uses NOVARTIS AG (CH) 2010-09-23 US disclosed
EP-2125757-A1 MACROCYCLIC COMPOUNDS AS HCV NS3 PROTEASE INHIBITORS Novartis AG (CH) 2009-12-02 EP disclosed
WO-2008101665-A1 MACROCYCLIC COMPOUNDS AS HCV NS3 PROTEASE INHIBITORS NOVARTIS AG (CH) 2008-08-28 WO disclosed
US-20070286842-A1 Organic Compounds and Their Uses NOVARTIS AG (CH) 2007-12-13 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 (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-20100331243-A1 ORGANIC COMPOUNDS AND THEIR USES OAT, OTC, AOX1 ABHD6 1888/4885PIK3CA 4354/4885MTOR 4266/4885
US-20100240638-A1 Organic Compounds and their uses OAT, HAVCR2, CYP3A43 ABHD6 3334/4885PIK3CA 2365/4885MTOR 2131/4885
US-20130149281-A1 ORGANIC COMPOUNDS AND THEIR USES OAT, HAVCR2, CPT1A ABHD6 1766/4885PIK3CA 4151/4885MTOR 2746/4885
US-20070286842-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 ABHD6 1888/4885PIK3CA 4354/4885MTOR 4266/4885
US-20120231998-A1 ORGANIC COMPOUNDS AND THEIR USES OAT, OTC, AOX1 ABHD6 1888/4885PIK3CA 4354/4885MTOR 4266/4885

“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.