SCHEMBL1785325

SCHEMBL1785325

Fc1cc(-c2cccc(-c3nc[nH]n3)c2)ccc1CNC1Cc2ccccc2C1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
HDAC1 Q13547 3/20 0.36
HDAC6 Q9UBN7 2/20 0.36
HDAC8 Q9BY41 1/20 0.36
PRMT5 O14744 2/20 0.34
BCHE P06276 2/20 0.33
ACHE P22303 2/20 0.33
BACE1 P56817 2/20 0.33
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
GRIN2B Q13224 1/20 0.33
NR1I3 Q14994 2/20 0.32
SLC2A1 P11166 2/20 0.31
KDM1A O60341 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
BDKRB1 P46663 1/20 0.31

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
SCHEMBL12651279 0.92 HDAC1 (0.36) OPRM1OPRD1OPRK1HDAC1HDAC6
Hydrochloric Acid SCHEMBL16194949 0.91 HDAC1 (0.35) OPRM1OPRD1OPRK1HDAC1HDAC6
Gsk-1521498 SCHEMBL1785572 0.88 OPRM1 (0.38) OPRM1OPRD1OPRK1HDAC1HDAC6
Gsk-1521498 SCHEMBL29393107 0.88 OPRM1 (0.38) OPRM1OPRD1OPRK1HDAC1HDAC6
Gsk-1521498 SCHEMBL1786243 0.88 OPRM1 (0.38) OPRM1OPRD1OPRK1HDAC1HDAC6
SCHEMBL12608215 0.85 HDAC1 (0.37) OPRM1OPRD1OPRK1HDAC1HDAC6
SCHEMBL12651091 0.85 HDAC1 (0.49) OPRM1OPRD1OPRK1HDAC1HDAC6
SCHEMBL12651393 0.84 SLC2A1 (0.39) OPRM1OPRD1OPRK1HDAC1HDAC6
Hydrochloric Acid SCHEMBL16195040 0.84 HDAC1 (0.36) OPRM1OPRD1OPRK1HDAC1HDAC6
SCHEMBL12608228 0.84 HDAC1 (0.36) OPRM1OPRD1OPRK1HDAC1HDAC6

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 10 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-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-8633175-B2 Compounds as antagonists or inverse agonists at opioid receptors GLAXOSMITHKLINE LLC (US) 2014-01-21 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-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
US-20100113512-A1 METHOD OF TREATMENT USING NOVEL ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS IGNAR DIANE MICHELE 2010-05-06 US 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 (3 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 OPRM1 2/4885OPRD1 4/4885OPRK1 3/4885
US-20100113512-A1 METHOD OF TREATMENT USING NOVEL ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS OPRL1, OPRD1, OPRK1 OPRM1 4/4885OPRD1 2/4885OPRK1 3/4885
US-20140323487-A1 Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors OPRL1, OPRM1, OPRK1 OPRM1 2/4885OPRD1 4/4885OPRK1 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.