SCHEMBL12608136

SCHEMBL12608136

NC(=O)c1ccc(-c2cccc(CNCCC3CCCCC3)c2)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.41
OPRD1 P41143 3/20 0.41
OPRK1 P41145 2/20 0.41
F2RL1 P55085 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
SHMT1 P34896 1/20 0.39
TMPRSS2 O15393 3/20 0.38
F10 P00742 3/20 0.38
TMPRSS6 Q8IU80 3/20 0.38
ST14 Q9Y5Y6 3/20 0.38
PLAU P00749 2/20 0.38
CXCR4 P61073 3/20 0.38
CSNK2A1 P68400 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
FAAH O00519 1/20 0.37

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
Hydrochloric Acid SCHEMBL3340392 0.99 OPRM1 (0.41) OPRM1OPRD1OPRK1F2RL1SIGMAR1
SCHEMBL1790195 0.88 OPRM1 (0.41) OPRM1OPRD1OPRK1F2RL1SIGMAR1
SCHEMBL4081821 0.88 OPRM1 (0.48) OPRM1OPRD1OPRK1SIGMAR1CXCR4
Hydrochloric Acid SCHEMBL3342460 0.87 OPRM1 (0.41) OPRM1OPRD1OPRK1F2RL1SIGMAR1
SCHEMBL12608132 0.86 KCNH2 (0.49) OPRM1OPRD1OPRK1FAAH
Hydrochloric Acid SCHEMBL3339395 0.85 KCNH2 (0.48) OPRM1OPRD1OPRK1FAAH
SCHEMBL4078358 0.83 OPRM1 (0.51) OPRM1OPRD1OPRK1SIGMAR1SHMT1
SCHEMBL13335622 0.82 OPRM1 (0.37) OPRM1OPRD1OPRK1NPC1RAB9A
SCHEMBL1348140 0.82 FAAH (0.45) OPRM1OPRD1OPRK1F2RL1FAAH
SCHEMBL1348506 0.82 OPRM1 (0.42) OPRM1OPRD1OPRK1F2RL1SHMT1

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 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.