SCHEMBL4673742

SCHEMBL4673742

CC(C)(CC#N)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.52
CYP2D6 P10635 3/20 0.42
CYP3A4 P08684 2/20 0.42
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
OPRM1 P35372 1/20 0.40
DRD3 P35462 1/20 0.40
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 2/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HIF1A Q16665 1/20 0.38
ATM Q13315 1/20 0.37
MEN1 O00255 1/20 0.37
CYP2C9 P11712 1/20 0.37
NPY2R P49146 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 3/20 0.37
ALOX15 P16050 1/20 0.37
MAPT P10636 1/20 0.36

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
SCHEMBL11724568 0.84 ESR1 (0.36) TAAR1CYP2D6CYP3A4DRD2DRD4
SCHEMBL5645124 0.82 CYP2D6 (0.49) TAAR1CYP2D6CYP3A4DRD2DRD4
SCHEMBL11724581 0.82 CYP2C19 (0.47) TAAR1CYP2D6CYP3A4DRD2DRD4
SCHEMBL9447336 0.80 TSHR (0.46) TAAR1RAB9AMEN1KMT2AALDH1A1
SCHEMBL2815949 0.78 MAPT (0.47) TAAR1CYP3A4MAPK1CYP2C19RAB9A
SCHEMBL31310650 0.78 CYP2C19 (0.42) TAAR1CYP2D6CYP3A4DRD2DRD4
SCHEMBL11421695 0.78 TAAR1 (0.43) TAAR1CYP2D6CYP3A4DRD2DRD4
SCHEMBL4679692 0.78 SHBG (0.32) TAAR1ESR1ESR2
SCHEMBL955513 0.78 CYP2C19 (0.42) TAAR1CYP2D6CYP3A4DRD2DRD4
SCHEMBL3045851 0.78 CYP2A6 (0.33) TAAR1ALDH1A1ESR1ESR2

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 27 patents — showing the first 20. 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
CN-104918942-A Pyrimidone derivatives and their use for treating, ameliorating or preventing viral diseases SAVIRA PHARMACEUTICALS GMBH 2015-09-16 CN 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
EP-0790998-B1 AZO DERIVATIVES OF 5-AMINOSALICYLIC ACID FOR TREATMENT OF INFLAMMATORY BOWEL DISEASE URIACH & CIA SA J (ES) 2001-01-17 EP disclosed
EP-0738269-B1 PIPERIDINE DERIVATIVES WITH PAF ANTAGONIST ACTIVITY URIACH & CIA SA J (ES) 2000-04-26 EP disclosed
US-5852209-A Process for optically resolving 2-(3-benzoylphenyl) propionic acid NAGASE & CO., LTD. (JP) 1998-12-22 US disclosed
US-5747477-A INFLAMMATORY BOWEL DISEASE, GASTROINTESTINAL DISORDERS, CROHN*S DISEASE J. URIACH & CIA S.A. (ES) 1998-05-05 US disclosed
US-5705504-A PLATELET ACTIVATING FACTOR J. URIACH & CIA, S.A. (ES) 1998-01-06 US disclosed
EP-0790998-A1 AZO DERIVATIVES OF 5-AMINOSALICYLIC ACID FOR TREATMENT OF INFLAMMATORY BOWEL DISEASE J. URIACH & CIA. S.A. (ES) 1997-08-27 EP disclosed
WO-1997009329-A1 AZO DERIVATIVES OF 5-AMINOSALICYLIC ACID FOR TREATMENT OF INFLAMMATORY BOWEL DISEASE J. URIACH & CIA. S.A. (ES) 1997-03-13 WO disclosed
EP-0738269-A1 NOVEL PIPERIDINE DERIVATIVES WITH PAF ANTAGONIST ACTIVITY J. URIACH & CIA. S.A. (ES) 1996-10-23 EP disclosed
WO-1996014317-A1 NOVEL PIPERIDINE DERIVATIVES WITH PAF ANTAGONIST ACTIVITY J. URIACH & CIA. S.A. (ES) 1996-05-17 WO disclosed
EP-0703212-A1 Process for optically resolving 2-(3-benzoylphenyl) propionic acid NAGASE & COMPANY, LTD. (JP) 1996-03-27 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 TAAR1 1163/4885CYP2D6 10/4885CYP3A4 127/4885

“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.