SCHEMBL1929985

SCHEMBL1929985

Cc1ccccc1C(=O)N1CCC(=O)CC1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.70
ALDH1A1 P00352 3/20 0.65
CYP2C9 P11712 2/20 0.65
CYP2C19 P33261 2/20 0.65
CYP3A4 P08684 1/20 0.65
HPGD P15428 1/20 0.65
MAPT P10636 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
HTR2B P41595 1/20 0.55
MAPK14 Q16539 1/20 0.55
HSD11B1 P28845 1/20 0.51
MGLL Q99685 1/20 0.51
KMT2A Q03164 2/20 0.50
POLB P06746 1/20 0.50

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
Ethylene SCHEMBL8379177 0.97 HTT (0.66) HTTALDH1A1CYP2C9CYP2C19CYP3A4
SCHEMBL13618524 0.90 HTT (0.70) HTTALDH1A1CYP2C9CYP2C19CYP3A4
SCHEMBL10722320 0.87 HTT (0.89) HTTALDH1A1CYP2C9CYP2C19CYP3A4
SCHEMBL1520613 0.84 HTT (0.89) HTTALDH1A1CYP2C9CYP2C19CYP3A4
SCHEMBL13162411 0.84 HTT (0.96) HTTALDH1A1CYP2C9CYP2C19CYP3A4
SCHEMBL30530619 0.84 HTT (0.89) HTTALDH1A1CYP2C9CYP2C19CYP3A4
SCHEMBL10330512 0.82 HTT (0.86) HTTALDH1A1CYP2C9CYP2C19CYP3A4
SCHEMBL14825166 0.82 HTT (1.00) HTTALDH1A1CYP2C9CYP2C19CYP3A4
SCHEMBL2538595 0.82 HTT (0.86) HTTALDH1A1CYP2C9CYP2C19CYP3A4
SCHEMBL18726000 0.81 HTT (0.72) HTTALDH1A1CYP2C9CYP2C19CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7956069-B2 Compounds ASTRAZENECA AB (SE) 2011-06-07 US disclosed
US-7956069-B2 Compounds ASTRAZENECA AB (SE) 2011-06-07 US disclosed
US-7956069-B2 Compounds ASTRAZENECA AB (SE) 2011-06-07 US disclosed
EP-2257543-A1 MUSCARINIC RECEPTOR AGONISTS, COMPOSITIONS, METHODS OF TREATMENT THEREOF, AND PROCESSES FOR PREPARATION THEREOF 177 AstraZeneca AB (SE) 2010-12-08 EP disclosed
WO-2009108117-A1 MUSCARINIC RECEPTOR AGONISTS, COMPOSITIONS, METHODS OF TREATMENT THEREOF, AND PROCESSES FOR PREPARATION THEREOF 177 ASTRAZENECA AB (SE) 2009-09-03 WO disclosed
WO-2009108117-A1 MUSCARINIC RECEPTOR AGONISTS, COMPOSITIONS, METHODS OF TREATMENT THEREOF, AND PROCESSES FOR PREPARATION THEREOF 177 ASTRAZENECA AB (SE) 2009-09-03 WO disclosed
US-20090221567-A1 MUSCARINIC RECEPTOR AGONISTS, COMPOSITIONS, METHODS OF TREATMENT THEREOF, AND PROCESSES FOR PREPARATION THEREOF 177 ASTRAZENECA AB (SE) 2009-09-03 US disclosed
US-20090221567-A1 MUSCARINIC RECEPTOR AGONISTS, COMPOSITIONS, METHODS OF TREATMENT THEREOF, AND PROCESSES FOR PREPARATION THEREOF 177 ASTRAZENECA AB (SE) 2009-09-03 US disclosed
US-20090221567-A1 MUSCARINIC RECEPTOR AGONISTS, COMPOSITIONS, METHODS OF TREATMENT THEREOF, AND PROCESSES FOR PREPARATION THEREOF 177 ASTRAZENECA AB (SE) 2009-09-03 US disclosed
CN-101501025-A Muscarinic receptor agonists that are effective in the treatment of pain, alzheimer's disease and schizophrenia ASTRAZENECA AB (SE) 2009-08-05 CN disclosed
EP-2035411-A1 MUSCARINIC RECEPTOR AGONISTS THAT ARE EFFECTIVE IN THE TREATMENT OF PAIN, ALZHEIMER'S DISEASE AND SCHIZOPHRENIA. Astra Zeneca AB (SE) 2009-03-18 EP disclosed
WO-2007142583-A1 MUSCARINIC RECEPTOR AGONISTS THAT ARE EFFECTIVE IN THE TREATMENT OF PAIN, ALZHEIMER'S DISEASE AND SCHIZOPHRENIA. ASTRAZENECA AB (SE) 2007-12-13 WO disclosed
WO-2007142583-A1 MUSCARINIC RECEPTOR AGONISTS THAT ARE EFFECTIVE IN THE TREATMENT OF PAIN, ALZHEIMER'S DISEASE AND SCHIZOPHRENIA. ASTRAZENECA AB (SE) 2007-12-13 WO disclosed
US-20070287695-A1 Novel Compounds ASTRAZENECA AB (SE) 2007-12-13 US disclosed
US-20070287695-A1 Novel Compounds ASTRAZENECA AB (SE) 2007-12-13 US disclosed
US-20070287695-A1 Novel Compounds ASTRAZENECA AB (SE) 2007-12-13 US disclosed
EP-0938483-B1 MUSCARINIC ANTAGONISTS SCHERING CORP (US) 2003-02-26 EP disclosed
EP-0938483-A2 MUSCARINIC ANTAGONISTS SCHERING CORPORATION (US) 1999-09-01 EP disclosed
CN-1204327-A Pharmaceutically active quinazoline compounds ASTRA PHARMA PROD (GB) 1999-01-06 CN disclosed
WO-1998005292-A2 PIPERIDINE AND PIPERAZINE DERIVATIVES AND THEIR USE AS MUSCARINIC ANTAGONISTS SCHERING CORPORATION (US) 1998-02-12 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 (2 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-20070287695-A1 Novel Compounds OPRM1, OPRL1, OPRK1 HTT 3123/4885ALDH1A1 837/4885CYP2C9 474/4885
US-20090221567-A1 MUSCARINIC RECEPTOR AGONISTS, COMPOSITIONS, METHODS OF TREATMENT THEREOF, AND PROCESSES FOR PREPARATION THEREOF 177 CHRM1, CHRM2, CHRM3 HTT 4427/4885ALDH1A1 1847/4885CYP2C9 692/4885

“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.