SCHEMBL1787382

SCHEMBL1787382

CC1(C)CCC(N(Cc2ccc(-c3cccc(C(=O)O)c3)cc2)C(=O)OC(C)(C)C)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 1/20 0.43
RXRA P19793 2/20 0.41
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
UBE2M P61081 1/20 0.40
DCUN1D1 Q96GG9 1/20 0.40
HSD11B1 P28845 1/20 0.40
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
USP30 Q70CQ3 2/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
GPR119 Q8TDV5 2/20 0.38
EPHX2 P34913 1/20 0.38
MEP1B Q16820 1/20 0.37
RXRB P28702 1/20 0.37
KMO O15229 1/20 0.37
RARA P10276 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
SCHEMBL1786051 0.91 UBE2M (0.47) UBE2MDCUN1D1HSD11B1GPR119
SCHEMBL12607454 0.91 UBE2M (0.38) UBE2MDCUN1D1HSD11B1GPR119AOC3
SCHEMBL12651041 0.88 EPHX2 (0.47) NR1H2UBE2MDCUN1D1HSD11B1USP30
SCHEMBL12607477 0.87 NR1H2 (0.44) NR1H2UBE2MDCUN1D1USP30
SCHEMBL1787891 0.86 NR1H2 (0.43) NR1H2UBE2MDCUN1D1HSD11B1USP30
SCHEMBL12651235 0.85 NR1H2 (0.44) NR1H2UBE2MDCUN1D1HSD11B1USP30
SCHEMBL12607452 0.83 GPR119 (0.44) HSD11B1PDE4APDE4BPDE4CPDE4D
SCHEMBL12607461 0.82 C5AR1 (0.39) PDE4APDE4BPDE4CPDE4DGPR119
SCHEMBL13267029 0.81 GPR119 (0.50) LTB4R2HSD11B1GPR119
SCHEMBL15633633 0.80 UBE2M (0.42) LTB4R2UBE2MDCUN1D1AOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140323487-A1 Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors GLAXOSMITHKLINE LLC 2014-10-30 US disclosed
US-8822518-B2 Compounds as antagonists or inverse agonists of opioid receptors for treatment of addiction GLAXOSMITHKLINE LLC (US) 2014-09-02 US disclosed
US-20140100255-A1 Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors GLAXOSMITHKLINE LLC (US) 2014-04-10 US disclosed
US-8633175-B2 Compounds as antagonists or inverse agonists at opioid receptors GLAXOSMITHKLINE LLC (US) 2014-01-21 US disclosed
US-20110124559-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2011-05-26 US disclosed
US-20100113512-A1 METHOD OF TREATMENT USING NOVEL ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS IGNAR DIANE MICHELE 2010-05-06 US disclosed
EP-2054383-A2 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS SmithKline Beecham Corporation (US) 2009-05-06 EP disclosed
WO-2008021849-A2 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-21 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 (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-20110124559-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS OPRL1, OPRM1, OPRK1 LTB4R2 296/4885RXRA 358/4885NR1H2 209/4885
US-20100113512-A1 METHOD OF TREATMENT USING NOVEL ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS OPRL1, OPRD1, OPRK1 LTB4R2 484/4885RXRA 354/4885NR1H2 239/4885
US-20140323487-A1 Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors OPRL1, OPRM1, OPRK1 LTB4R2 296/4885RXRA 358/4885NR1H2 209/4885
US-20140100255-A1 Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors OPRL1, OPRM1, OPRK1 LTB4R2 296/4885RXRA 358/4885NR1H2 209/4885

“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.