SCHEMBL7903136

SCHEMBL7903136

CC(C)C(=O)NCCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLAAT3 P53816 1/20 0.55
PLAAT5 Q96KN8 1/20 0.55
PLAAT2 Q9NWW9 1/20 0.55
PLAAT4 Q9UL19 1/20 0.55
CNR1 P21554 1/20 0.53
KMT2A Q03164 2/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
TACR1 P25103 1/20 0.50
LTA4H P09960 1/20 0.50
EPHX2 P34913 1/20 0.50
ESRRG P62508 5/20 0.49
MEN1 O00255 1/20 0.48
GAA P10253 1/20 0.48
ESRRB O95718 2/20 0.48
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL12590670 0.89 ESRRG (0.51) PLAAT3PLAAT5PLAAT2PLAAT4CNR1
SCHEMBL12757446 0.84 ERCC1 (0.55) TACR1EPHX2ALDH1A1
SCHEMBL12115591 0.82 HPGD (0.59) PLAAT3PLAAT5PLAAT2PLAAT4CNR1
SCHEMBL1008256 0.82 KDM4E (0.64) PLAAT3PLAAT5PLAAT2PLAAT4CNR1
SCHEMBL1581186 0.81 ALDH1A1 (0.48) PLAAT3PLAAT5PLAAT2PLAAT4CNR1
SCHEMBL7897169 0.80 KMT2A (0.58) PLAAT3PLAAT5PLAAT2PLAAT4CNR1
SCHEMBL12164125 0.80 KDM4E (0.66) KMT2ACYP2D6CYP2C9CYP2C19ESRRG
SCHEMBL2771700 0.80 PLAAT3 (0.64) PLAAT3PLAAT5PLAAT2PLAAT4CNR1
SCHEMBL13361545 0.79 LTA4H (0.58) PLAAT3PLAAT5PLAAT2PLAAT4CNR1
SCHEMBL21824256 0.79 PLAAT3 (0.56) PLAAT3PLAAT5PLAAT2PLAAT4CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8637500-B2 Aminopyridine and carboxypyridine compounds as phosphodiesterase 10 inhibitors AMGEN INC. (US) 2014-01-28 US disclosed
US-8318718-B2 Pyridine and pyrimidine derivatives as phosphodiesterase 10 inhibitors AMGEN INC. (US) 2012-11-27 US disclosed
US-20120277209-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2012-11-01 US disclosed
US-8247418-B2 Pyrazine compounds as phosphodiesterase 10 inhibitors AMGEN INC. (US) 2012-08-21 US disclosed
US-8053438-B2 Pyrazine compounds as phosphodiesterase 10 inhibitors AMGEN INC. (US) 2011-11-08 US disclosed
US-20110160202-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2011-06-30 US disclosed
US-20100160280-A1 AMINOPYRIDINE AND CARBOXYPYRIDINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2010-06-24 US disclosed
US-20100137278-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2010-06-03 US disclosed
US-20100125062-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS AMEN INC. (US) 2010-05-20 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 (5 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-20100137278-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS PDE10A, PDE12, PDE5A PLAAT3 849/4885PLAAT5 437/4885PLAAT2 874/4885
US-20110160202-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS PDE10A, PDE12, PDE5A PLAAT3 849/4885PLAAT5 437/4885PLAAT2 874/4885
US-20100125062-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS PDE7A, PDE9A, PDE10A PLAAT3 1958/4885PLAAT5 1898/4885PLAAT2 1846/4885
US-20100160280-A1 AMINOPYRIDINE AND CARBOXYPYRIDINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS PDE4A, PDE7A, PDE4D PLAAT3 3213/4885PLAAT5 3485/4885PLAAT2 4361/4885
US-20120277209-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS PDE10A, PDE12, PDE5A PLAAT3 2081/4885PLAAT5 1661/4885PLAAT2 3284/4885

“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.