SCHEMBL13547900

SCHEMBL13547900

COc1cc(F)c(F)cc1CC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 14/20 0.44
▸ HTR2C P28335 11/20 0.44
▸ HTR2B P41595 10/20 0.44
▸ MTNR1A P48039 1/20 0.39
▸ MTNR1B P49286 1/20 0.39
▸ GAA P10253 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ TAAR1 Q96RJ0 2/20 0.36
▸ DPP4 P27487 1/20 0.35
▸ HTR1A P08908 1/20 0.35
▸ ADRA2A P08913 1/20 0.35
▸ ADRA2B P18089 1/20 0.35
▸ ADRA2C P18825 1/20 0.35
▸ HTR1B P28222 1/20 0.35
▸ HTR7 P34969 1/20 0.35
▸ HTR6 P50406 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
SCHEMBL16352690 0.87 TAAR1 (0.43) HTR2AHTR2CHTR2BGAAMAPT
SCHEMBL23011831 0.82 HTR2A (0.40) HTR2AHTR2CHTR2BMTNR1AMTNR1B
SCHEMBL12775726 0.78 KDM4E (0.45) TSHR
SCHEMBL22545940 0.77 HTR2A (0.67) HTR2AHTR2CHTR2BTAAR1HTR1A
SCHEMBL13547924 0.77 RIPK1 (0.43) GAAMAPTTSHRMAPK1HTT
SCHEMBL9886097 0.77 TAAR1 (0.59) HTR2AHTR2CHTR2BMTNR1AMTNR1B
SCHEMBL12775601 0.76 DPP4 (0.50) HTR2AHTR2CDPP4
SCHEMBL18407235 0.76 HTR2A (0.42) HTR2AMTNR1AMTNR1BGAAMAPT
SCHEMBL20767050 0.75 HTR2A (0.50) HTR2AHTR2CHTR2BTAAR1
SCHEMBL30207864 0.75 PDE4A (0.52) HTR2AHTR2CHTR2BMTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140371223-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS ADDEX PHARMA S.A. (CH) 2014-12-18 — — US disclosed
US-8779129-B2 Triazinedione derivatives as GABAB receptor modulators ADDEX PHARMA S.A. (CH) 2014-07-15 — — US disclosed
US-20130123262-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS ADDEX PHARMA S.A. (CH) 2013-05-16 — — US disclosed
US-8344138-B2 Triazinedione derivatives as GABAB receptor modulators ADDEX PHARMA S.A. (CH) 2013-01-01 — — US disclosed
US-20100004246-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS ADDEX PHARMA SA (CH) 2010-01-07 — — US 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 (3 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-20100004246-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS CHRNA5, GABRA5, GABRB3 HTR2A 213/4885HTR2C 144/4885HTR2B 99/4885
US-20140371223-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS CHRNA5, GABRA5, GABRB3 HTR2A 213/4885HTR2C 144/4885HTR2B 99/4885
US-20130123262-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS CHRNA5, GABRA5, GABRB3 HTR2A 213/4885HTR2C 144/4885HTR2B 99/4885

“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.

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