SCHEMBL7904502

SCHEMBL7904502

CC(C)C(=O)NC1(Cc2ccccc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.48
ALDH1A1 P00352 2/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 3/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
DPP4 P27487 1/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 2/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CTSL P07711 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.39

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
SCHEMBL11989399 0.81 ALDH1A1 (0.51) ADRB2ALDH1A1HTTHDAC3HDAC1
SCHEMBL1718862 0.79 ADRB2 (0.56) ADRB2ALDH1A1HTTKMT2AL3MBTL1
SCHEMBL20069609 0.77 RET (0.42) ADRB2ALDH1A1HTTDPP4NPC1
SCHEMBL20205889 0.76 RET (0.47) ADRB2ALDH1A1HTTCYP2D6DPP4
SCHEMBL21651969 0.76 HRH3 (0.42) ADRB2ALDH1A1HTTKMT2ACYP2D6
SCHEMBL20068812 0.75 RET (0.48) ADRB2ALDH1A1HTTCYP2D6DPP4
SCHEMBL20147419 0.75 RET (0.46) ADRB2ALDH1A1HTTKMT2ACYP2D6
SCHEMBL20147390 0.75 RET (0.46) ADRB2ALDH1A1HTTKMT2ACYP2D6
SCHEMBL12821484 0.75 ADRB2 (0.58) ADRB2ALDH1A1HTTHDAC3HDAC1
SCHEMBL3717417 0.75 ADRB2 (0.58) ADRB2ALDH1A1HTTHDAC3HDAC1

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 17 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-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-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-20110160182-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2011-06-30 US disclosed
US-20110160182-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-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 (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 ADRB2 1887/4885ALDH1A1 929/4885HTT 2627/4885
US-20100137278-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS PDE10A, PDE12, PDE5A ADRB2 1887/4885ALDH1A1 929/4885HTT 2627/4885
US-20110160202-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS PDE10A, PDE12, PDE5A ADRB2 1887/4885ALDH1A1 929/4885HTT 2627/4885
US-20130079325-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS PDE7A, PDE9A, PDE10A ADRB2 2214/4885ALDH1A1 640/4885HTT 3355/4885
US-20100125062-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS PDE7A, PDE9A, PDE10A ADRB2 2214/4885ALDH1A1 640/4885HTT 3355/4885
US-20100160280-A1 AMINOPYRIDINE AND CARBOXYPYRIDINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS PDE4A, PDE7A, PDE4D ADRB2 1346/4885ALDH1A1 1600/4885HTT 3441/4885
US-20120277209-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS PDE10A, PDE12, PDE5A ADRB2 1711/4885ALDH1A1 1799/4885HTT 3743/4885

“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.