SCHEMBL3170202

SCHEMBL3170202

O=CC1(c2ccc(C(F)(F)F)cc2)CCCC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 5/20 0.49
SLC6A4 P31645 4/20 0.45
SLC6A2 P23975 1/20 0.45
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
KDM1A O60341 1/20 0.42
OPRM1 P35372 1/20 0.41
OPRL1 P41146 1/20 0.41
DAO P14920 1/20 0.39
CYP1A2 P05177 1/20 0.38
HSD11B1 P28845 1/20 0.37
PIM1 P11309 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
APP P05067 1/20 0.36
THRB P10828 1/20 0.36
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
PDE2A O00408 1/20 0.35
GALR1 P47211 1/20 0.35

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
SCHEMBL3516282 0.98 SLC6A3 (0.51) SLC6A3SLC6A4SLC6A2MAOAMAOB
SCHEMBL626533 0.96 SLC6A3 (0.45) SLC6A3SLC6A4SLC6A2MAOAMAOB
SCHEMBL12047029 0.92 MAOA (0.44) SLC6A3SLC6A4SLC6A2MAOAMAOB
SCHEMBL31280555 0.87 KIF11 (0.44) SLC6A3MAOAMAOBKDM1AOPRM1
SCHEMBL20876294 0.81 SLC6A3 (0.49) SLC6A3SLC6A4SLC6A2MAOAMAOB
SCHEMBL15863543 0.81 SLC6A4 (0.37) SLC6A3SLC6A4SLC6A2CES2
SCHEMBL15070051 0.80 LMNA (0.37) SLC6A3SLC6A4SLC6A2CYP1A2HSD11B1
SCHEMBL15862781 0.80 SLC6A4 (0.54) SLC6A3SLC6A4SLC6A2KDM1AOPRM1
SCHEMBL3517993 0.78 SLC6A4 (0.56) SLC6A3SLC6A4SLC6A2KDM1AOPRM1
SCHEMBL15043678 0.77 SLC6A3 (0.49) SLC6A3SLC6A4SLC6A2MAOAMAOB

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 15 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
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-1862457-B1 Fluoropyrrolidines as dipeptidyl peptidase inhibitors SMITHKLINE BEECHAM CORP (US) 2010-01-20 EP disclosed
EP-1862457-A2 Fluoropyrrolidines as dipeptidyl peptidase inhibitors SmithKline Beecham Corporation (US) 2007-12-05 EP disclosed
EP-1406873-B1 FLUOROPYRROLIDINES AS DIPEPTIDYL PEPTIDASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2007-09-26 EP disclosed
US-7132443-B2 Fluoropyrrolidines as dipeptidyl peptidase inhibitors SMITHKLINEBEECHAM CORPORATION (US) 2006-11-07 US disclosed
US-20040171848-A1 Fluoropyrrolidines as dipeptidyl peptidase inhibitors SMITHKLINE BEECHAM CORPORATION 2004-09-02 US disclosed
EP-1406873-A2 FLUOROPYRROLIDINES AS DIPEPTIDYL PEPTIDASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-04-14 EP disclosed
WO-2003002531-A2 FLUOROPYRROLIDINES AS DIPEPTIDYL PEPTIDASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-01-09 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-20040171848-A1 Fluoropyrrolidines as dipeptidyl peptidase inhibitors DPP4, DPP3, DPP7 SLC6A3 565/4885SLC6A4 380/4885SLC6A2 1849/4885
US-20140194431-A1 PYRIMIDONE DERIVATIVES AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE TPMT, XDH, DPYD SLC6A3 130/4885SLC6A4 359/4885SLC6A2 276/4885

“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.