SCHEMBL1786877

SCHEMBL1786877

NC(=O)c1cccc(-c2cccc(OCCNCC3CCCCC3)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.56
TRPA1 O75762 1/20 0.56
EPHX2 P34913 1/20 0.56
FAAH2 Q6GMR7 1/20 0.56
MGLL Q99685 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
OPRM1 P35372 2/20 0.50
OPRD1 P41143 1/20 0.50
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
OPRK1 P41145 1/20 0.45
KCNH2 Q12809 1/20 0.45
PARP15 Q460N3 1/20 0.43
PARP10 Q53GL7 1/20 0.43

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
SCHEMBL1789592 0.92 MEN1 (0.52) FAAHTRPA1EPHX2FAAH2MGLL
SCHEMBL12607665 0.92 PARP15 (0.48) FAAHTRPA1EPHX2FAAH2MGLL
SCHEMBL12607671 0.92 MEN1 (0.52) FAAHTRPA1EPHX2FAAH2MGLL
SCHEMBL12607661 0.92 PARP15 (0.48) FAAHTRPA1EPHX2FAAH2MGLL
SCHEMBL1785390 0.87 FAAH (0.49) FAAHTRPA1EPHX2FAAH2MGLL
SCHEMBL12607716 0.87 FAAH (0.43) FAAHTRPA1EPHX2FAAH2MGLL
SCHEMBL12607746 0.82 EPHX2 (0.43) FAAHTRPA1EPHX2FAAH2MGLL
SCHEMBL12651504 0.81 OPRM1 (0.53) FAAHTRPA1EPHX2FAAH2MGLL
SCHEMBL1785902 0.80 PARP10 (0.61) MEN1KMT2APARP15PARP10
SCHEMBL12607729 0.80 DGAT1 (0.50) KCNH2PARP15PARP10

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 11 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-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 FAAH 397/4885TRPA1 174/4885EPHX2 1937/4885
US-20100113512-A1 METHOD OF TREATMENT USING NOVEL ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS OPRL1, OPRD1, OPRK1 FAAH 166/4885TRPA1 1049/4885EPHX2 2604/4885
US-20140323487-A1 Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors OPRL1, OPRM1, OPRK1 FAAH 397/4885TRPA1 174/4885EPHX2 1937/4885

“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.