SCHEMBL6999838

SCHEMBL6999838

COC(=O)C1=C(c2ccccc2)CCC1

nearest known ligand 0.85

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 15/20 0.85
SLC6A2 P23975 10/20 0.85
SLC6A4 P31645 2/20 0.85
CHRM2 P08172 2/20 0.57
CHRM4 P08173 2/20 0.57
CHRM5 P08912 2/20 0.57
CHRM1 P11229 2/20 0.57
CHRM3 P20309 2/20 0.57

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
SCHEMBL16810267 0.95 SLC6A3 (0.94) SLC6A3SLC6A2SLC6A4CHRM2CHRM4
SCHEMBL6499702 0.85 SLC6A3 (0.74) SLC6A3SLC6A2SLC6A4
SCHEMBL21335107 0.83 SLC6A3 (1.00) SLC6A3SLC6A2SLC6A4
SCHEMBL4350867 0.81 SLC6A3 (0.71) SLC6A3SLC6A2SLC6A4CHRM2CHRM4
SCHEMBL6503574 0.80 SLC6A3 (0.75) SLC6A3SLC6A2SLC6A4
SCHEMBL6498107 0.80 SLC6A2 (0.70) SLC6A3SLC6A2SLC6A4
SCHEMBL9431881 0.80 SLC6A3 (0.71) SLC6A3SLC6A2SLC6A4
SCHEMBL1751726 0.80 SLC6A3 (0.60) SLC6A3SLC6A2SLC6A4
SCHEMBL1957762 0.79 SLC6A3 (1.00) SLC6A3SLC6A2SLC6A4
SCHEMBL16061721 0.79 SLC6A3 (0.64) SLC6A3SLC6A2SLC6A4CHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2943495-B1 PYRIMIDONE DERIVATIVES AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE SAVIRA PHARMACEUTICALS GMBH (AT) 2016-12-28 EP disclosed
EP-2943495-A1 PYRIMIDONE DERIVATIVES AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE Savira Pharmaceuticals GmbH (AT) 2015-11-18 EP disclosed
US-9045486-B2 Pyrimidone derivatives and their use in the treatment, amelioration or prevention of a viral disease SAVIRA PHARMACEUTICALS GMBH (AT) 2015-06-02 US disclosed
US-9045486-B2 Pyrimidone derivatives and their use in the treatment, amelioration or prevention of a viral disease SAVIRA PHARMACEUTICALS GMBH (AT) 2015-06-02 US disclosed
US-9045486-B2 Pyrimidone derivatives and their use in the treatment, amelioration or prevention of a viral disease SAVIRA PHARMACEUTICALS GMBH (AT) 2015-06-02 US disclosed
WO-2014108406-A1 PYRIMIDONE DERIVATIVES AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE SAVIRA PHARMACEUTICALS GMBH (AT) 2014-07-17 WO disclosed
WO-2014108406-A1 PYRIMIDONE DERIVATIVES AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE SAVIRA PHARMACEUTICALS GMBH (AT) 2014-07-17 WO disclosed
US-20140194431-A1 PYRIMIDONE DERIVATIVES AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE SAVIRA PHARMACEUTICALS GMBH (AT) 2014-07-10 US disclosed
US-20140194431-A1 PYRIMIDONE DERIVATIVES AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE SAVIRA PHARMACEUTICALS GMBH (AT) 2014-07-10 US disclosed
US-20140194431-A1 PYRIMIDONE DERIVATIVES AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE SAVIRA PHARMACEUTICALS GMBH (AT) 2014-07-10 US disclosed
EP-1021444-B1 3-CARBOXAMIDE DERIVATIVES OF 5H-PYRROLO[2,1-c][1,4]-BENZODIAZEPINES WYETH CORP (US) 2003-09-24 EP disclosed
EP-0915876-A1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS American Cyanamid Company (US) 1999-05-19 EP disclosed
US-5880122-A TREATING DISEASES CHARACTERIZED BY EXCESS RENAL REABSORPTION OF WATER AMERICAN HOME PRODUCTS CORPORATION (US) 1999-03-09 US disclosed
US-5753648-A THREATING DISEASES CAUSED BY RENAL REABSORPTION OF WATER AMERICAN CYANAMID COMPANY (US) 1998-05-19 US disclosed
WO-1997049707-A1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS AMERICAN CYANAMID COMPANY (US) 1997-12-31 WO disclosed
US-5453421-A Aryl and heterocyclic substituted propenamide derivatives E. R. SQUIBB & SONS, INC. (US) 1995-09-26 US disclosed
EP-0587188-A2 Aryl and heterocyclic substituted propenamide derivatives E.R. SQUIBB & SONS, INC. (US) 1994-03-16 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 (1 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-20140194431-A1 PYRIMIDONE DERIVATIVES AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE TPMT, XDH, DPYD SLC6A3 130/4885SLC6A2 276/4885SLC6A4 359/4885

“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.