SCHEMBL9278404

SCHEMBL9278404

CN(CCc1ccccc1)CC(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.57
SIGMAR1 Q99720 10/20 0.56
AOC3 Q16853 3/20 0.53
FDPS P14324 1/20 0.49

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
SCHEMBL13428484 0.85 AOC3 (0.55) TAAR1SIGMAR1AOC3FDPS
Demelverine SCHEMBL1516521 0.83 SIGMAR1 (0.76) TAAR1SIGMAR1AOC3FDPS
SCHEMBL18135495 0.82 TAAR1 (0.54) TAAR1SIGMAR1AOC3
SCHEMBL25532733 0.81 KCNH2 (0.56) TAAR1SIGMAR1
SCHEMBL9768687 0.81 SIGMAR1 (0.73) TAAR1SIGMAR1AOC3FDPS
SCHEMBL20804036 0.80 SIGMAR1 (0.49) TAAR1SIGMAR1AOC3FDPS
SCHEMBL28814049 0.80 SIGMAR1 (0.49) TAAR1SIGMAR1AOC3FDPS
SCHEMBL9281673 0.79 ALDH1A1 (0.54) SIGMAR1AOC3
SCHEMBL13900455 0.77 OPRK1 (0.51) TAAR1SIGMAR1AOC3
SCHEMBL18138032 0.77 OPRM1 (0.56) TAAR1AOC3FDPS

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
US-20230031954-A1 TETRACYCLINE COMPOUNDS AND METHODS OF TREATMENT TETRAPHASE PHARMACEUTICALS, INC. 2023-02-02 US disclosed
US-20190322661-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS,COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2019-10-24 US disclosed
US-20190077803-A1 TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS INC (US) 2019-03-14 US disclosed
US-20170145020-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS,COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-05-25 US disclosed
US-20170145020-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS,COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-05-25 US disclosed
US-9604984-B2 5-chloro-2-difluoromethoxyphenyl pyrazolopyrimidine compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2017-03-28 US disclosed
US-9604984-B2 5-chloro-2-difluoromethoxyphenyl pyrazolopyrimidine compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2017-03-28 US disclosed
US-20170044160-A1 TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS, INC. 2017-02-16 US disclosed
US-20170044160-A1 TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS, INC. 2017-02-16 US disclosed
US-20160237086-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS,COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2016-08-18 US disclosed
US-9346815-B2 5-chloro-2-difluoromethoxyphenyl pyrazolopyrimidine compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2016-05-24 US disclosed
US-9315451-B2 Tetracycline compounds TETRAPHASE PHARMACEUTICALS, INC. (US) 2016-04-19 US disclosed
US-20150336962-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2015-11-26 US disclosed
US-20120135968-A1 Tetracycline Compounds TETRAPHASE PHARMACEUTICALS, INC. 2012-05-31 US disclosed
US-7504391-B2 Selective D1/D5 receptor antagonists for the treatment of obesity and CNS disorders SCHERING CORPORATION (US) 2009-03-17 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 (8 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-20190322661-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS,COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, FLT3 TAAR1 4534/4885SIGMAR1 1418/4885AOC3 2410/4885
US-20150336962-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, FLT3 TAAR1 4534/4885SIGMAR1 1418/4885AOC3 2410/4885
US-20170044160-A1 TETRACYCLINE COMPOUNDS TUBB, TUBA1C, TUBA1A TAAR1 2320/4885SIGMAR1 2548/4885AOC3 4596/4885
US-20230031954-A1 TETRACYCLINE COMPOUNDS AND METHODS OF TREATMENT MCL1, ABL1, MALT1 TAAR1 1931/4885SIGMAR1 4523/4885AOC3 3412/4885
US-20160237086-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS,COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, FLT3 TAAR1 4534/4885SIGMAR1 1418/4885AOC3 2410/4885
US-20120135968-A1 Tetracycline Compounds TUBB, TUBA1C, TUBA1A TAAR1 2320/4885SIGMAR1 2548/4885AOC3 4596/4885
US-20190077803-A1 TETRACYCLINE COMPOUNDS TUBB, TUBA1C, TUBA1A TAAR1 2320/4885SIGMAR1 2548/4885AOC3 4596/4885
US-20170145020-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS,COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, FLT3 TAAR1 4534/4885SIGMAR1 1418/4885AOC3 2410/4885

“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.