SCHEMBL1804740

SCHEMBL1804740

CCN(CC)C(=O)c1ccc(Oc2ncc(NCC3CCCN3C(=O)OC(C)(C)C)c(Oc3ccc(OC)cc3)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 6/20 0.40
PRMT5 O14744 1/20 0.39
OPRM1 P35372 2/20 0.39
OPRD1 P41143 2/20 0.39
SLC2A1 P11166 1/20 0.38
CHEK2 O96017 1/20 0.37
HDAC8 Q9BY41 1/20 0.36
AHCY P23526 2/20 0.36
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
F2RL3 Q96RI0 1/20 0.35

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
SCHEMBL1804743 1.00 GPR119 (0.40) GPR119PRMT5OPRM1OPRD1SLC2A1
SCHEMBL1805033 0.92 PRMT5 (0.44) GPR119PRMT5OPRD1CHEK2HDAC8
SCHEMBL1805031 0.92 PRMT5 (0.44) GPR119PRMT5OPRD1CHEK2HDAC8
SCHEMBL12620436 0.90 PRMT5 (0.40) GPR119PRMT5OPRD1CHEK2HDAC8
SCHEMBL1806036 0.84 PRMT5 (0.40) PRMT5HDAC8AHCYKDM4ENPC1
SCHEMBL1806037 0.84 PRMT5 (0.40) PRMT5HDAC8AHCYKDM4ENPC1
SCHEMBL1808726 0.83 PRMT5 (0.44) GPR119PRMT5OPRD1CHEK2HDAC8
SCHEMBL1808725 0.83 PRMT5 (0.44) GPR119PRMT5OPRD1CHEK2HDAC8
SCHEMBL16519779 0.82 PRMT5 (0.42) GPR119PRMT5OPRD1CHEK2HDAC8
SCHEMBL12653244 0.82 PRMT5 (0.48) GPR119PRMT5OPRD1CHEK2KDM4E

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
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
US-20140066422-A1 PHENOXY-SUBSTITUTED PYRIMIDINES AS OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, NV (BE) 2014-03-06 US disclosed
US-8394809-B2 Phenoxy-substituted pyrimidines as opioid receptor modulators JANSSEN PHARMACEUTICA, NV (BE) 2013-03-12 US 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

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-20140066422-A1 PHENOXY-SUBSTITUTED PYRIMIDINES AS OPIOID RECEPTOR MODULATORS OPRK1, OPRL1, OPRM1 GPR119 189/4885PRMT5 575/4885OPRM1 3/4885
US-20110105455-A1 PHENOXY-SUBSTITUTED PYRIMIDINES AS OPIOID RECEPTOR MODULATORS OPRK1, OPRL1, OPRM1 GPR119 189/4885PRMT5 575/4885OPRM1 3/4885

“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.