SCHEMBL7897134

SCHEMBL7897134

CC(C)C(=O)N[C@@H](C)Cc1ccccn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRA P18433 1/20 0.51
CYP1A2 P05177 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
POLB P06746 1/20 0.51
CYP2D6 P10635 1/20 0.51
MAPT P10636 1/20 0.51
TSHR P16473 1/20 0.51
ALDH1A1 P00352 3/20 0.48
HTT P42858 2/20 0.48
KDM4E B2RXH2 1/20 0.48
FDPS P14324 1/20 0.47
CYP3A4 P08684 1/20 0.47
PTGFR P43088 1/20 0.47
KCNH2 Q12809 1/20 0.46
KCNB1 Q14721 1/20 0.46
ATM Q13315 1/20 0.45
LMNA P02545 1/20 0.44
HDAC6 Q9UBN7 4/20 0.44
HDAC1 Q13547 2/20 0.44
ACACB O00763 1/20 0.44

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
SCHEMBL7906506 1.00 PTPRA (0.51) PTPRACYP1A2SMN1; SMN2POLBCYP2D6
SCHEMBL7336481 0.86 PTPRA (0.57) PTPRACYP1A2SMN1; SMN2POLBCYP2D6
SCHEMBL8385587 0.86 ACACB (0.56) PTPRACYP1A2SMN1; SMN2POLBCYP2D6
SCHEMBL7481222 0.86 PTPRA (0.57) PTPRACYP1A2SMN1; SMN2POLBCYP2D6
SCHEMBL8385561 0.86 ACACB (0.56) PTPRACYP1A2SMN1; SMN2POLBCYP2D6
SCHEMBL11989413 0.86 ACACB (0.56) PTPRACYP1A2SMN1; SMN2POLBCYP2D6
SCHEMBL14819096 0.83 POLB (0.53) PTPRACYP1A2SMN1; SMN2POLBCYP2D6
SCHEMBL12204079 0.81 ESR1 (0.50) PTPRACYP1A2SMN1; SMN2POLBCYP2D6
SCHEMBL30850109 0.79 POLB (0.46) PTPRACYP1A2SMN1; SMN2POLBCYP2D6
Trifluoroacetic Acid SCHEMBL7477588 0.79 CYP1A2 (0.52) PTPRACYP1A2SMN1; SMN2POLBCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8759532-B2 Pyridine and pyrimidine derivatives as phosphodiesterase 10 inhibitors AMGEN INC. (US) 2014-06-24 US disclosed
US-8637500-B2 Aminopyridine and carboxypyridine compounds as phosphodiesterase 10 inhibitors AMGEN INC. (US) 2014-01-28 US disclosed
US-20130079325-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS ALLEN JENNIFER R (US) 2013-03-28 US disclosed
US-8329700-B2 Pyrazine compounds as phosphodiesterase 10 inhibitors AMGEN INC. (US) 2012-12-11 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-20110160182-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2011-06-30 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-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 (7 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-20110160182-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS PDE10A, PDE12, PDE5A PTPRA 1386/4885CYP1A2 513/4885SMN1; SMN2 4522/4885
US-20100137278-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS PDE10A, PDE12, PDE5A PTPRA 1386/4885CYP1A2 513/4885SMN1; SMN2 4522/4885
US-20110160202-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS PDE10A, PDE12, PDE5A PTPRA 1386/4885CYP1A2 513/4885SMN1; SMN2 4522/4885
US-20130079325-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS PDE7A, PDE9A, PDE10A PTPRA 1133/4885CYP1A2 979/4885SMN1; SMN2 4386/4885
US-20100125062-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS PDE7A, PDE9A, PDE10A PTPRA 1133/4885CYP1A2 979/4885SMN1; SMN2 4386/4885
US-20100160280-A1 AMINOPYRIDINE AND CARBOXYPYRIDINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS PDE4A, PDE7A, PDE4D PTPRA 1141/4885CYP1A2 1374/4885SMN1; SMN2 3555/4885
US-20120277209-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS PDE10A, PDE12, PDE5A PTPRA 803/4885CYP1A2 720/4885SMN1; SMN2 3861/4885

“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.