SCHEMBL2456685

SCHEMBL2456685

O=C1CCC(c2cccnc2F)CC1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 6/20 0.49
PDE10A Q9Y233 3/20 0.39
HTR1A P08908 3/20 0.38
SLC6A2 P23975 3/20 0.38
SLC6A4 P31645 3/20 0.38
ESR2 Q92731 1/20 0.37
NAPRT Q6XQN6 1/20 0.37
PDK2 Q15119 1/20 0.36
SPR P35270 1/20 0.36

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
SCHEMBL2457303 0.94 HCAR2 (0.45) HCAR2PDE10AHTR1ASLC6A2SLC6A4
SCHEMBL32162354 0.85 HCAR2 (0.48) HCAR2HTR1ASLC6A2SLC6A4NAPRT
SCHEMBL2460605 0.85 HCAR2 (0.48) HCAR2HTR1ASLC6A2SLC6A4NAPRT
SCHEMBL2457354 0.83 HCAR2 (0.47) HCAR2PDE10AHTR1ASLC6A2SLC6A4
SCHEMBL13361555 0.82 HCAR2 (0.46) HCAR2HTR1ASLC6A2SLC6A4PDK2
SCHEMBL13361533 0.80 HCAR2 (0.45) HCAR2HTR1ASLC6A2SLC6A4PDK2
SCHEMBL2457181 0.79 PDE10A (0.46) HCAR2PDE10ASPR
SCHEMBL629415 0.79 ESR2 (0.44) HCAR2PDE10AHTR1ASLC6A2SLC6A4
SCHEMBL2456867 0.79 HCAR2 (0.46) HCAR2HTR1ASLC6A2SLC6A4ESR2
SCHEMBL8314694 0.79 HCAR2 (0.44) HCAR2HTR1ASLC6A2SLC6A4NAPRT

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9376450-B2 Heteroaryloxyheterocyclyl compounds as PDE10 inhibitors AMGEN INC. (US) 2016-06-28 US disclosed
US-9376450-B2 Heteroaryloxyheterocyclyl compounds as PDE10 inhibitors AMGEN INC. (US) 2016-06-28 US disclosed
US-9376450-B2 Heteroaryloxyheterocyclyl compounds as PDE10 inhibitors AMGEN INC. (US) 2016-06-28 US disclosed
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-8637500-B2 Aminopyridine and carboxypyridine compounds as phosphodiesterase 10 inhibitors AMGEN INC. (US) 2014-01-28 US disclosed
US-8637500-B2 Aminopyridine and carboxypyridine compounds as phosphodiesterase 10 inhibitors AMGEN INC. (US) 2014-01-28 US disclosed
US-20130253186-A1 HETEROARYLOXYHETEROCYCLYL COMPOUNDS AS PDE10 INHIBITORS AMGEN INC. (US) 2013-09-26 US disclosed
US-8497265-B2 Heteroaryloxyheterocyclyl compounds as PDE10 inhibitors AMGEN INC. (US) 2013-07-30 US disclosed
US-8497265-B2 Heteroaryloxyheterocyclyl compounds as PDE10 inhibitors AMGEN INC. (US) 2013-07-30 US disclosed
US-20100160280-A1 AMINOPYRIDINE AND CARBOXYPYRIDINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2010-06-24 US disclosed
US-20100125062-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS AMEN INC. (US) 2010-05-20 US disclosed
US-20100125062-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS AMEN INC. (US) 2010-05-20 US disclosed
US-20100125062-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS AMEN INC. (US) 2010-05-20 US disclosed
WO-2010057126-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2010-05-20 WO disclosed
WO-2010057126-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2010-05-20 WO disclosed
US-20090062269-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME CORP. 2009-03-05 US disclosed
US-20090062269-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME CORP. 2009-03-05 US disclosed
WO-2008051403-A2 NIACIN RECEPTOR AGONISTS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK & CO., INC. (US) 2008-05-02 WO disclosed
WO-2007092364-A2 NIACIN RECEPTOR AGONISTS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK & CO., INC. (US) 2007-08-16 WO 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 (4 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-20090062269-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment HCAR1, HCAR2, FFAR1 HCAR2 2/4885PDE10A 1427/4885HTR1A 485/4885
US-20100125062-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS PDE7A, PDE9A, PDE10A HCAR2 4129/4885PDE10A 3/4885HTR1A 665/4885
US-20130253186-A1 HETEROARYLOXYHETEROCYCLYL COMPOUNDS AS PDE10 INHIBITORS PDE10A, PDE9A, PDE7A HCAR2 1341/4885PDE10A 1/4885HTR1A 565/4885
US-20100160280-A1 AMINOPYRIDINE AND CARBOXYPYRIDINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS PDE4A, PDE7A, PDE4D HCAR2 3574/4885PDE10A 10/4885HTR1A 693/4885

“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.