SCHEMBL2457181

SCHEMBL2457181

CN1CCC(c2cccnc2F)CCC1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.46
HCAR2 Q8TDS4 4/20 0.42
SRD5A1 P18405 3/20 0.41
SPR P35270 1/20 0.39
KDM4E B2RXH2 2/20 0.38
CYP3A4 P08684 1/20 0.38
THRB P10828 1/20 0.38
TSHR P16473 1/20 0.38
THPO P40225 1/20 0.38
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
OPRL1 P41146 1/20 0.36
RPLP1 P05386 1/20 0.36
RPLP0 P05388 1/20 0.36
RPS17 P08708 1/20 0.36
RPSA P08865 1/20 0.36
RPS2 P15880 1/20 0.36
RPL35A P18077 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
SCHEMBL2457001 0.88 PDE10A (0.46) PDE10AHCAR2SPR
SCHEMBL2456685 0.79 HCAR2 (0.49) PDE10AHCAR2SPR
SCHEMBL2459716 0.76 BRD4 (0.57) PDE10AHCAR2SRD5A1
SCHEMBL17878823 0.76 KDM4E (0.57) HCAR2SRD5A1KDM4ECYP3A4THRB
SCHEMBL32162354 0.75 HCAR2 (0.48) HCAR2THRBTSHRTHPO
SCHEMBL2460605 0.75 HCAR2 (0.48) HCAR2THRBTSHRTHPO
SCHEMBL3319484 0.75 KDM4E (0.48) PDE10ASPRKDM4E
SCHEMBL2457303 0.74 HCAR2 (0.45) PDE10AHCAR2SPR
SCHEMBL23235688 0.73 HCAR2 (0.47) HCAR2SPRMEN1KMT2ARPLP1
SCHEMBL30270446 0.73 HCAR2 (0.41) HCAR2SPR

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 15 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
EP-2364306-B1 Pyridine and pyrimidine derivatives as phosphodiesterase 10 inhibitors AMGEN INC (US) 2013-04-24 EP disclosed
EP-2364306-B1 Pyridine and pyrimidine derivatives as phosphodiesterase 10 inhibitors AMGEN INC (US) 2013-04-24 EP disclosed
US-20130079325-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS ALLEN JENNIFER R (US) 2013-03-28 US disclosed
US-20130079325-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS ALLEN JENNIFER R (US) 2013-03-28 US disclosed
US-20130079325-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS ALLEN JENNIFER R (US) 2013-03-28 US disclosed
US-8318718-B2 Pyridine and pyrimidine derivatives as phosphodiesterase 10 inhibitors AMGEN INC. (US) 2012-11-27 US disclosed
US-8318718-B2 Pyridine and pyrimidine derivatives as phosphodiesterase 10 inhibitors AMGEN INC. (US) 2012-11-27 US disclosed
US-8318718-B2 Pyridine and pyrimidine derivatives as phosphodiesterase 10 inhibitors AMGEN INC. (US) 2012-11-27 US disclosed
EP-2364306-A1 Pyridine and pyrimidine derivatives as phosphodiesterase 10 inhibitors Amgen Inc. (US) 2011-09-14 EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20130079325-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS PDE7A, PDE9A, PDE10A PDE10A 3/4885HCAR2 4129/4885SRD5A1 638/4885
US-20100125062-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS PDE7A, PDE9A, PDE10A PDE10A 3/4885HCAR2 4129/4885SRD5A1 638/4885

“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.