SCHEMBL1789592

SCHEMBL1789592

NC(=O)c1cccc(-c2ccc(OCCNCC3CCCCCC3)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
FAAH O00519 2/20 0.50
TRPA1 O75762 1/20 0.50
EPHX2 P34913 1/20 0.50
FAAH2 Q6GMR7 1/20 0.50
MGLL Q99685 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
OPRM1 P35372 1/20 0.49
OPRD1 P41143 1/20 0.49
PARP15 Q460N3 2/20 0.48
PARP10 Q53GL7 2/20 0.48
ALDH1A1 P00352 1/20 0.47
ADRB1 P08588 1/20 0.46
ADRB3 P13945 1/20 0.46
BCL2L1 Q07817 1/20 0.45
MCL1 Q07820 1/20 0.45

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
SCHEMBL12607671 1.00 MEN1 (0.52) MEN1KMT2AFAAHTRPA1EPHX2
SCHEMBL1786877 0.92 FAAH (0.56) MEN1KMT2AFAAHTRPA1EPHX2
SCHEMBL12607661 0.89 PARP15 (0.48) MEN1KMT2AFAAHTRPA1EPHX2
SCHEMBL12607665 0.89 PARP15 (0.48) MEN1KMT2AFAAHTRPA1EPHX2
SCHEMBL1785902 0.89 PARP10 (0.61) MEN1KMT2APARP15PARP10ALDH1A1
SCHEMBL12607668 0.86 ALDH1A1 (0.63) MEN1KMT2AFAAHTRPA1EPHX2
SCHEMBL12607729 0.85 DGAT1 (0.50) PARP15PARP10ALDH1A1ADRB1ADRB3
Hydrochloric Acid SCHEMBL1795237 0.84 DGAT1 (0.49) PARP15PARP10ALDH1A1ADRB1ADRB3
SCHEMBL12651144 0.83 PARP10 (0.55) FAAHPARP10
SCHEMBL15416945 0.82 ALDH1A1 (0.59) MEN1KMT2AEPHX2ALDH1A1ADRB1

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
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-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-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 MEN1 4865/4885KMT2A 3867/4885FAAH 397/4885
US-20100113512-A1 METHOD OF TREATMENT USING NOVEL ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS OPRL1, OPRD1, OPRK1 MEN1 4375/4885KMT2A 2191/4885FAAH 166/4885
US-20140323487-A1 Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors OPRL1, OPRM1, OPRK1 MEN1 4865/4885KMT2A 3867/4885FAAH 397/4885

“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.