SCHEMBL1883133

SCHEMBL1883133

COc1ccc(Oc2nc(C#N)ncc2NCC2CCCN2C(=O)OC(C)(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.42
F2RL3 Q96RI0 2/20 0.41
GPR119 Q8TDV5 3/20 0.40
DPP4 P27487 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.39
MAPT P10636 1/20 0.39
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
FPR3 P25089 1/20 0.38
FPR2 P25090 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM1A O60341 1/20 0.38
CTSL P07711 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 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
SCHEMBL1883135 1.00 PRMT5 (0.42) PRMT5F2RL3GPR119DPP4HDAC8
SCHEMBL1808466 0.89 PRMT5 (0.46) PRMT5F2RL3GPR119HDAC8MAPT
SCHEMBL1808468 0.89 PRMT5 (0.46) PRMT5F2RL3GPR119HDAC8MAPT
SCHEMBL1808725 0.89 PRMT5 (0.44) PRMT5F2RL3GPR119HDAC8MAPT
SCHEMBL1805033 0.89 PRMT5 (0.44) PRMT5F2RL3GPR119HDAC8MAPT
SCHEMBL1808726 0.89 PRMT5 (0.44) PRMT5F2RL3GPR119HDAC8MAPT
SCHEMBL1805031 0.89 PRMT5 (0.44) PRMT5F2RL3GPR119HDAC8MAPT
SCHEMBL1859336 0.89 DPP4 (0.41) DPP4CTSLCTSSCTSK
SCHEMBL1859333 0.89 DPP4 (0.41) DPP4CTSLCTSSCTSK
SCHEMBL1807303 0.87 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2493877-B1 PYRIMIDINE COMPOUNDS AS DELTA OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-09-17 EP 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-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 (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-20110105520-A1 PYRIMIDINE COMPOUNDS AS DELTA OPIOID RECEPTOR MODULATORS OPRD1, OPRK1, OPRM1 PRMT5 1130/4885F2RL3 1519/4885GPR119 248/4885
US-20130310358-A1 PYRIMIDINE COMPOUNDS AS DELTA OPIOID RECEPTOR MODULATORS OPRD1, OPRK1, OPRM1 PRMT5 1130/4885F2RL3 1519/4885GPR119 248/4885

“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.