SCHEMBL183431

SCHEMBL183431

CC(C)(C)OC(=O)N1CCc2nc(C(C)(C)C)nc(OS(=O)(=O)C(F)(F)F)c2C1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
ADORA1 P30542 2/20 0.38
PARP1 P09874 1/20 0.37
TNKS2 Q9H2K2 1/20 0.37
PARP2 Q9UGN5 1/20 0.37
ESR2 Q92731 1/20 0.35
MTOR P42345 2/20 0.35
PDE10A Q9Y233 1/20 0.35
NR1H2 P55055 1/20 0.35
C5AR1 P21730 2/20 0.34
GRAMD1A Q96CP6 1/20 0.34
SCN9A Q15858 1/20 0.34
F12 P00748 1/20 0.34
FABP4 P15090 1/20 0.33
FABP5 Q01469 1/20 0.33
KDM4E B2RXH2 1/20 0.32
GCK P35557 1/20 0.32
CYP8B1 Q9UNU6 1/20 0.32

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
SCHEMBL19894405 0.83 DPP4 (0.36) PARP1TNKS2PARP2
SCHEMBL30776238 0.82 PARP1 (0.41) MAPTADORA1PARP1TNKS2PARP2
SCHEMBL22011297 0.82 PARP1 (0.41) MAPTADORA1PARP1TNKS2PARP2
SCHEMBL1621294 0.81 RORC (0.38) MAPTPARP1TNKS2PARP2KDM4E
SCHEMBL1623132 0.81 CKS1B (0.37) MAPTPARP1TNKS2PARP2
SCHEMBL194527 0.81 PDE10A (0.40) MAPTPARP1TNKS2PARP2ESR2
SCHEMBL31647561 0.80 EHMT2 (0.38) MAPTADORA1PARP1TNKS2PARP2
SCHEMBL19617493 0.80 PARP1 (0.40) MAPTADORA1PARP1TNKS2PARP2
SCHEMBL4192572 0.79 CCNA2 (0.39) MAPTADORA1PARP1TNKS2PARP2
SCHEMBL31016603 0.78 GPR119 (0.36) MAPTADORA1PARP1TNKS2PARP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8618288-B2 Pyrimidine compounds as serotonin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2013-12-31 US disclosed
EP-1928461-B1 PYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2012-01-04 EP disclosed
US-20100016281-A1 PYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2010-01-21 US disclosed
US-7598255-B2 Pyrimidine compounds as serotonin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2009-10-06 US disclosed
US-20070032481-A1 PYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2007-02-08 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 (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-20070032481-A1 PYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS HTR1A, HTR5A, HTR6 MAPT 1462/4885ADORA1 73/4885PARP1 559/4885
US-20100016281-A1 PYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS HTR1A, HTR5A, HTR6 MAPT 1462/4885ADORA1 73/4885PARP1 559/4885

“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.