SCHEMBL4789908

SCHEMBL4789908

CC1CC(c2ccc(F)cc2)=CCN1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.34
PTGS2 P35354 3/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
PRCP P42785 1/20 0.33
KHK P50053 1/20 0.32
HTR1A P08908 1/20 0.31
HTR7 P34969 1/20 0.31
LMNA P02545 1/20 0.31
THRB P10828 1/20 0.31
QDPR P09417 1/20 0.31
SIGMAR1 Q99720 1/20 0.31

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
Trifluoroacetic Acid SCHEMBL16422651 0.87 KDM1A (0.43)
SCHEMBL4790146 0.83 NISCH (0.41) MAPTPRCPKHKQDPRSIGMAR1
SCHEMBL4790395 0.81 SIGMAR1 (0.50) ALDH1A1PRCPHTR1AHTR7SIGMAR1
SCHEMBL578563 0.81 HTR2C (0.50) ALDH1A1MAPTHTR7LMNAQDPR
SCHEMBL120894 0.81 SIGMAR1 (0.47) HTR7SIGMAR1
SCHEMBL5120222 0.81 HTR2C (0.38) PTGS2
SCHEMBL3905276 0.80 PTGS1 (0.33) PTGS1PTGS2KDM4EALDH1A1CYP1A2
SCHEMBL15140545 0.80 PTGS1 (0.31) PTGS1PTGS2
SCHEMBL4790156 0.80 NISCH (0.37) HTR1AHTR7
SCHEMBL4674055 0.79 CA1 (0.36) PTGS1PTGS2PRCP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9403798-B2 Triazinone compound and T-type calcium channel inhibitor NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-08-02 US disclosed
US-9403798-B2 Triazinone compound and T-type calcium channel inhibitor NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-08-02 US disclosed
US-20150065705-A1 TRIAZINONE COMPOUND AND T-TYPE CALCIUM CHANNEL INHIBITOR NISSAN CHEMICAL CORPORATION (JP) 2015-03-05 US disclosed
US-20150065705-A1 TRIAZINONE COMPOUND AND T-TYPE CALCIUM CHANNEL INHIBITOR NISSAN CHEMICAL CORPORATION (JP) 2015-03-05 US disclosed
EP-2832728-A1 TRIAZINONE COMPOUND AND T-TYPE CALCIUM CHANNEL INHIBITOR Nissan Chemical Industries, Ltd. (JP) 2015-02-04 EP disclosed
WO-2008015271-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THE USE AS A MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-07 WO disclosed
US-20080032998-A1 Pyrazolopyrimidines, a process for their preparation and their use as medicine MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-07 US disclosed
WO-2001002357-A2 PROCESS FOR THE SYNTHESIS OF 4-(4'-FLUOROPHENYL)-PIPERIDINES SMITHKLINE BEECHAM P.L.C. (GB) 2001-01-11 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-20150065705-A1 TRIAZINONE COMPOUND AND T-TYPE CALCIUM CHANNEL INHIBITOR CACNA1E, CACNA1I, CACNA1G PTGS1 1697/4885PTGS2 892/4885KDM4E 3901/4885
US-20080032998-A1 Pyrazolopyrimidines, a process for their preparation and their use as medicine GRM5, GRM1, GRIK5 PTGS1 581/4885PTGS2 1117/4885KDM4E 1401/4885

“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.