SCHEMBL1804086

SCHEMBL1804086

COc1ccc(Oc2nc(-c3cncnc3)ncc2NC[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.42
CHEK2 O96017 1/20 0.39
F2RL3 Q96RI0 2/20 0.38
GPR119 Q8TDV5 2/20 0.38
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
IRAK1 P51617 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
CSF1R P07333 1/20 0.37
DAPK1 P53355 1/20 0.37
OPRD1 P41143 1/20 0.36
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL12653244 0.91 PRMT5 (0.48) PRMT5CHEK2F2RL3GPR119KDM4E
SCHEMBL1870919 0.90 PRMT5 (0.41) PRMT5CHEK2F2RL3GPR119KDM4E
SCHEMBL1870921 0.90 PRMT5 (0.41) PRMT5CHEK2F2RL3GPR119KDM4E
SCHEMBL1860115 0.90 PRMT5 (0.40) PRMT5CHEK2F2RL3GPR119KDM4E
SCHEMBL1860116 0.90 PRMT5 (0.40) PRMT5CHEK2F2RL3GPR119KDM4E
SCHEMBL1884880 0.89 PRMT5 (0.39) PRMT5CHEK2F2RL3GPR119KDM4E
SCHEMBL1867922 0.89 PRMT5 (0.39) PRMT5CHEK2F2RL3GPR119KDM4E
SCHEMBL1805031 0.87 PRMT5 (0.44) PRMT5CHEK2F2RL3GPR119KDM4E
SCHEMBL1808726 0.87 PRMT5 (0.44) PRMT5CHEK2F2RL3GPR119KDM4E
SCHEMBL1808725 0.87 PRMT5 (0.44) PRMT5CHEK2F2RL3GPR119KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2493863-B1 PHENOXY-SUBSTITUTED PYRIMIDINES AS OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2015-02-25 EP disclosed
US-8895573-B2 Phenoxy-substituted pyrimidines as opioid receptor modulators JANSSEN PHARMACEUTICA, NV (BE) 2014-11-25 US disclosed
EP-2493877-B1 PYRIMIDINE COMPOUNDS AS DELTA OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-09-17 EP disclosed
EP-2493877-B1 PYRIMIDINE COMPOUNDS AS DELTA OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-09-17 EP disclosed
US-20140066422-A1 PHENOXY-SUBSTITUTED PYRIMIDINES AS OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, NV (BE) 2014-03-06 US disclosed
US-20130310358-A1 PYRIMIDINE COMPOUNDS AS DELTA OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, NV (BE) 2013-11-21 US disclosed
US-20130310358-A1 PYRIMIDINE COMPOUNDS AS DELTA OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, NV (BE) 2013-11-21 US disclosed
US-8513271-B2 Pyrimidine compounds as delta opioid receptor modulators JANSSEN PHARMACEUTICA, NV (BE) 2013-08-20 US disclosed
US-8513271-B2 Pyrimidine compounds as delta opioid receptor modulators JANSSEN PHARMACEUTICA, NV (BE) 2013-08-20 US disclosed
US-8513271-B2 Pyrimidine compounds as delta opioid receptor modulators JANSSEN PHARMACEUTICA, NV (BE) 2013-08-20 US disclosed
US-8394809-B2 Phenoxy-substituted pyrimidines as opioid receptor modulators JANSSEN PHARMACEUTICA, NV (BE) 2013-03-12 US disclosed
EP-2493877-A1 PYRIMIDINE COMPOUNDS AS DELTA OPIOID RECEPTOR MODULATORS Janssen Pharmaceutica NV (BE) 2012-09-05 EP disclosed
EP-2493863-A1 PHENOXY-SUBSTITUTED PYRIMIDINES AS OPIOID RECEPTOR MODULATORS Janssen Pharmaceutica NV (BE) 2012-09-05 EP disclosed
WO-2011053701-A1 PHENOXY-SUBSTITUTED PYRIMIDINES AS OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-05-05 WO disclosed
US-20110105455-A1 PHENOXY-SUBSTITUTED PYRIMIDINES AS OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, NV (BE) 2011-05-05 US disclosed
WO-2011053705-A1 PYRIMIDINE COMPOUNDS AS DELTA OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-05-05 WO disclosed
WO-2011053705-A1 PYRIMIDINE COMPOUNDS AS DELTA OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-05-05 WO disclosed
US-20110105520-A1 PYRIMIDINE COMPOUNDS AS DELTA OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, NV (BE) 2011-05-05 US disclosed
US-20110105520-A1 PYRIMIDINE COMPOUNDS AS DELTA OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, NV (BE) 2011-05-05 US disclosed
US-20110105520-A1 PYRIMIDINE COMPOUNDS AS DELTA OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, NV (BE) 2011-05-05 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 (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-20140066422-A1 PHENOXY-SUBSTITUTED PYRIMIDINES AS OPIOID RECEPTOR MODULATORS OPRK1, OPRL1, OPRM1 PRMT5 575/4885CHEK2 3109/4885F2RL3 568/4885
US-20110105520-A1 PYRIMIDINE COMPOUNDS AS DELTA OPIOID RECEPTOR MODULATORS OPRD1, OPRK1, OPRM1 PRMT5 1130/4885CHEK2 2172/4885F2RL3 1519/4885
US-20130310358-A1 PYRIMIDINE COMPOUNDS AS DELTA OPIOID RECEPTOR MODULATORS OPRD1, OPRK1, OPRM1 PRMT5 1130/4885CHEK2 2172/4885F2RL3 1519/4885
US-20110105455-A1 PHENOXY-SUBSTITUTED PYRIMIDINES AS OPIOID RECEPTOR MODULATORS OPRK1, OPRL1, OPRM1 PRMT5 575/4885CHEK2 3109/4885F2RL3 568/4885

“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.