SCHEMBL184026

SCHEMBL184026

CCOC(=O)/C(=C/N(C)C)C(=O)c1ccc(C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.50
FNTA P49354 1/20 0.45
FNTB P49356 1/20 0.45
CES2 O00748 3/20 0.44
CES1 P23141 3/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
CYP2C9 P11712 2/20 0.43
MAPT P10636 4/20 0.42
ALDH1A1 P00352 1/20 0.42
NPSR1 Q6W5P4 4/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
S1PR4 O95977 1/20 0.41
S1PR1 P21453 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL184027 1.00 DHODH (0.50) DHODHFNTAFNTBCES2CES1
SCHEMBL18017493 1.00 DHODH (0.50) DHODHFNTAFNTBCES2CES1
SCHEMBL11388473 0.88 MAPT (0.56) FNTAFNTBCES2CES1MEN1
SCHEMBL3412173 0.88 CYP11B1 (0.54) FNTAFNTBCES2CES1MEN1
SCHEMBL3412170 0.88 CYP11B1 (0.54) FNTAFNTBCES2CES1MEN1
SCHEMBL3565354 0.88 CYP11B1 (0.54) FNTAFNTBCES2CES1MEN1
SCHEMBL29254517 0.88 MAPT (0.56) DHODHFNTAFNTBCES2CES1
SCHEMBL1012186 0.88 MAPT (0.56) DHODHFNTAFNTBCES2CES1
SCHEMBL1965188 0.88 MAPT (0.56) DHODHFNTAFNTBCES2CES1
SCHEMBL11389643 0.87 CYP11B1 (0.51) FNTAFNTBCES2CES1MEN1

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 7 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
EP-1928461-A1 PYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-06-11 EP disclosed
WO-2007019083-A1 PYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-02-15 WO 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 DHODH 184/4885FNTA 2160/4885FNTB 2161/4885
US-20100016281-A1 PYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS HTR1A, HTR5A, HTR6 DHODH 184/4885FNTA 2160/4885FNTB 2161/4885

“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.