SCHEMBL7904577

SCHEMBL7904577

CC(C)C(=O)NCCc1cccs1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 11/20 0.64
NPC1 O15118 5/20 0.60
RAB9A P51151 5/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
TAAR1 Q96RJ0 2/20 0.55
LMNA P02545 1/20 0.51
HSD11B1 P28845 1/20 0.51
BRD4 O60885 1/20 0.51
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
KMT2A Q03164 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50

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
SCHEMBL9208913 0.88 ADAM17 (0.61) ADAM17NPC1RAB9ASMN1; SMN2TAAR1
SCHEMBL1107021 0.83 GAA (0.62) RAB9ASMN1; SMN2LMNAKMT2AALDH1A1
SCHEMBL17152365 0.83 ADAM17 (0.56) ADAM17NPC1RAB9ASMN1; SMN2TAAR1
SCHEMBL12329283 0.82 ADAM17 (0.59) ADAM17NPC1RAB9ASMN1; SMN2TAAR1
SCHEMBL863136 0.81 NPC1 (0.66) ADAM17NPC1RAB9ASMN1; SMN2TAAR1
SCHEMBL4152234 0.81 ADAM17 (0.57) ADAM17NPC1RAB9ASMN1; SMN2TAAR1
SCHEMBL4138479 0.81 ADAM17 (0.54) ADAM17NPC1RAB9ASMN1; SMN2TAAR1
SCHEMBL2731878 0.80 NPC1 (0.68) ADAM17NPC1RAB9ASMN1; SMN2TAAR1
SCHEMBL10423047 0.79 ADAM17 (0.52) ADAM17NPC1RAB9ASMN1; SMN2TAAR1
SCHEMBL21900627 0.79 NPC1 (0.55) ADAM17NPC1RAB9ASMN1; SMN2TAAR1

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 19 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-20120220567-A1 BENZO-FUSED OXAZEPINE COMPOUNDS AS STEAROYL-COENZYME A DELTA-9 DESATURASE INHIBITORS SCHERING CORPORATION 2012-08-30 US disclosed
US-20120220567-A1 BENZO-FUSED OXAZEPINE COMPOUNDS AS STEAROYL-COENZYME A DELTA-9 DESATURASE INHIBITORS SCHERING CORPORATION 2012-08-30 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-20100125062-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS AMEN INC. (US) 2010-05-20 US disclosed
US-7550458-B2 Tricycloundecane compounds useful as modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-23 US disclosed
US-7342016-B2 Farnesyl protein transferase inhibitors as antitumor agents SCHERING CORPORATION (US) 2008-03-11 US disclosed
US-20070088029-A1 Tricycloundecane compounds useful as modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY 2007-04-19 US disclosed
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION 2007-04-05 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 (10 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 ADAM17 498/4885NPC1 3372/4885RAB9A 734/4885
US-20100137278-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS PDE10A, PDE12, PDE5A ADAM17 498/4885NPC1 3372/4885RAB9A 734/4885
US-20120220567-A1 BENZO-FUSED OXAZEPINE COMPOUNDS AS STEAROYL-COENZYME A DELTA-9 DESATURASE INHIBITORS SCD, SCD5, CPT1A ADAM17 2280/4885NPC1 582/4885RAB9A 2573/4885
US-20110160202-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS PDE10A, PDE12, PDE5A ADAM17 498/4885NPC1 3372/4885RAB9A 734/4885
US-20130079325-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS PDE7A, PDE9A, PDE10A ADAM17 1704/4885NPC1 3738/4885RAB9A 822/4885
US-20100125062-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS PDE7A, PDE9A, PDE10A ADAM17 1704/4885NPC1 3738/4885RAB9A 822/4885
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 ADAM17 4711/4885NPC1 4880/4885RAB9A 2090/4885
US-20100160280-A1 AMINOPYRIDINE AND CARBOXYPYRIDINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS PDE4A, PDE7A, PDE4D ADAM17 3008/4885NPC1 4493/4885RAB9A 452/4885
US-20120277209-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS PDE10A, PDE12, PDE5A ADAM17 1464/4885NPC1 3825/4885RAB9A 526/4885
US-20070088029-A1 Tricycloundecane compounds useful as modulators of nuclear hormone receptor function VDR, ESRRB, NR5A1 ADAM17 3376/4885NPC1 618/4885RAB9A 4504/4885

“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.