SCHEMBL1808468

SCHEMBL1808468

COc1ccc(Oc2nc(C#Cc3ccccc3)ncc2NC[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.46
KDM1A O60341 1/20 0.39
OPRD1 P41143 1/20 0.38
HDAC8 Q9BY41 1/20 0.37
CPT1A P50416 1/20 0.37
F2RL3 Q96RI0 2/20 0.37
GPR119 Q8TDV5 2/20 0.37
CHEK2 O96017 1/20 0.36
AHCY P23526 2/20 0.36
MAPT P10636 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL1808466 1.00 PRMT5 (0.46) PRMT5KDM1AOPRD1HDAC8CPT1A
SCHEMBL16519772 0.94 PRMT5 (0.47) PRMT5KDM1AOPRD1GPR119CHEK2
SCHEMBL1883135 0.89 PRMT5 (0.42) PRMT5KDM1AHDAC8F2RL3GPR119
SCHEMBL1883133 0.89 PRMT5 (0.42) PRMT5KDM1AHDAC8F2RL3GPR119
SCHEMBL12653244 0.86 PRMT5 (0.48) PRMT5KDM1AOPRD1CPT1AF2RL3
SCHEMBL1805031 0.85 PRMT5 (0.44) PRMT5OPRD1HDAC8F2RL3GPR119
SCHEMBL1808726 0.85 PRMT5 (0.44) PRMT5OPRD1HDAC8F2RL3GPR119
SCHEMBL1808725 0.85 PRMT5 (0.44) PRMT5OPRD1HDAC8F2RL3GPR119
SCHEMBL1805033 0.85 PRMT5 (0.44) PRMT5OPRD1HDAC8F2RL3GPR119
SCHEMBL1807303 0.83 MAPT (0.50) PRMT5MAPT

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 14 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-8895573-B2 Phenoxy-substituted pyrimidines as opioid receptor modulators JANSSEN PHARMACEUTICA, NV (BE) 2014-11-25 US 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-20140066422-A1 PHENOXY-SUBSTITUTED PYRIMIDINES AS OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, NV (BE) 2014-03-06 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
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
US-20110105455-A1 PHENOXY-SUBSTITUTED PYRIMIDINES AS OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, NV (BE) 2011-05-05 US disclosed
US-20110105455-A1 PHENOXY-SUBSTITUTED PYRIMIDINES AS OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, NV (BE) 2011-05-05 US disclosed
WO-2011053701-A1 PHENOXY-SUBSTITUTED PYRIMIDINES AS OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-05-05 WO disclosed
WO-2011053701-A1 PHENOXY-SUBSTITUTED PYRIMIDINES AS OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-05-05 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-20140066422-A1 PHENOXY-SUBSTITUTED PYRIMIDINES AS OPIOID RECEPTOR MODULATORS OPRK1, OPRL1, OPRM1 PRMT5 575/4885KDM1A 1148/4885OPRD1 4/4885
US-20110105455-A1 PHENOXY-SUBSTITUTED PYRIMIDINES AS OPIOID RECEPTOR MODULATORS OPRK1, OPRL1, OPRM1 PRMT5 575/4885KDM1A 1148/4885OPRD1 4/4885

“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.