SCHEMBL1806541

SCHEMBL1806541

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.45
OPRD1 P41143 3/20 0.45
LMNA P02545 3/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
ALDH1A1 P00352 2/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
LPAR1 Q92633 2/20 0.40
LPAR5 Q9H1C0 2/20 0.40
ATR Q13535 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP1A2 P05177 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
BLM P54132 1/20 0.38
PARP10 Q53GL7 1/20 0.38

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
SCHEMBL1806964 0.83 ALDH1A1 (0.46) OPRM1OPRD1LMNAHPGDTSHR
SCHEMBL1803012 0.82 ALDH1A1 (0.53) LMNATSHRALDH1A1NPC1RAB9A
SCHEMBL12620442 0.80 ALDH1A1 (0.41) HPGDTSHRALDH1A1MAPTL3MBTL1
SCHEMBL1844719 0.76 OPRM1 (0.67) OPRM1OPRD1LMNAHPGDTSHR
SCHEMBL1804702 0.74 OPRM1 (0.41) OPRM1OPRD1CNR2
SCHEMBL6308636 0.72 HPGD (0.67) OPRM1OPRD1LMNAHPGDTSHR
SCHEMBL7536536 0.68 OPRM1 (0.57) OPRM1OPRD1LMNAHPGDTSHR
SCHEMBL12672764 0.68 ALDH1A1 (0.44) LMNATSHRALDH1A1NPC1MAPT
SCHEMBL1804823 0.68 MEN1 (0.46) HPGDTSHRALDH1A1MAPTL3MBTL1
SCHEMBL22534771 0.67 CASP1 (0.44) LMNAHPGDTSHRALDH1A1NPC1

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 13 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
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
US-8394809-B2 Phenoxy-substituted pyrimidines as opioid receptor modulators JANSSEN PHARMACEUTICA, NV (BE) 2013-03-12 US 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 OPRM1 3/4885OPRD1 4/4885LMNA 4550/4885
US-20110105455-A1 PHENOXY-SUBSTITUTED PYRIMIDINES AS OPIOID RECEPTOR MODULATORS OPRK1, OPRL1, OPRM1 OPRM1 3/4885OPRD1 4/4885LMNA 4550/4885

“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.