SCHEMBL1785176

SCHEMBL1785176

NC(=O)c1cccc(-c2ccc3c(c2)CCNC3)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 5/20 0.56
TDP2 O95551 1/20 0.54
CD274 Q9NZQ7 3/20 0.46
PARP1 P09874 1/20 0.46
PARP2 Q9UGN5 1/20 0.46
PARP3 Q9Y6F1 1/20 0.46
PARP10 Q53GL7 1/20 0.45
PARP11 Q9NR21 1/20 0.45
ERN1 O75460 1/20 0.45
F2 P00734 1/20 0.44
PLG P00747 1/20 0.44
PLAU P00749 1/20 0.44
PLAT P00750 1/20 0.44
KLKB1 P03952 1/20 0.44
PRSS1 P07477 1/20 0.44
CFD P00746 1/20 0.43
F11 P03951 1/20 0.43
ROCK2 O75116 1/20 0.43
PRKCE Q02156 1/20 0.43
PRKG1 Q13976 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
SCHEMBL3707604 0.87 ASIC3 (0.55) ASIC3PARP1PARP2PARP3F2
SCHEMBL30527844 0.84 PLAU (0.53) ASIC3PARP1PARP2PARP3F2
SCHEMBL1119301 0.84 PLAU (0.53) ASIC3PARP1PARP2PARP3F2
Hydrochloric Acid SCHEMBL1028250 0.82 PLAU (0.52) ASIC3PARP1PARP2PARP3F2
SCHEMBL1033504 0.77 PNMT (0.53)
SCHEMBL29728413 0.77 PNMT (0.53)
SCHEMBL6347388 0.77 ASIC3 (0.65) ASIC3CD274PARP10PARP11
SCHEMBL3703063 0.77 CD274 (0.54) ASIC3CD274PARP1PARP2PARP3
SCHEMBL25437113 0.77 ASIC3 (0.56) ASIC3TDP2CD274F2PLG
Hydrochloric Acid SCHEMBL17748278 0.76 PNMT (0.51)

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 21 patents — showing the first 20. 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-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-8822518-B2 Compounds as antagonists or inverse agonists of opioid receptors for treatment of addiction GLAXOSMITHKLINE LLC (US) 2014-09-02 US disclosed
CN-103980151-A Novel compounds as antagonists or inverse agonists at opioid receptors SMITHKLINE BEECHAM CORP 2014-08-13 CN disclosed
CN-101522614-B Compounds as antagonists or inverse agonists of opioid receptors SMITHKLINE BEECHAM CORP 2014-06-25 CN 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-8633175-B2 Compounds as antagonists or inverse agonists at opioid receptors GLAXOSMITHKLINE LLC (US) 2014-01-21 US disclosed
CN-102516115-A Novel compounds as antagonists or inverse agonists at opioid receptors SMITHKLINE BEECHAM CORP 2012-06-27 CN 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
US-20100113512-A1 METHOD OF TREATMENT USING NOVEL ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS IGNAR DIANE MICHELE 2010-05-06 US disclosed
CN-101522614-A Novel compounds as antagonists or inverse agonists of opioid receptors SMITHKLINE BEECHAM CORP (US) 2009-09-02 CN 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 ASIC3 540/4885TDP2 4533/4885CD274 1934/4885
US-20100113512-A1 METHOD OF TREATMENT USING NOVEL ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS OPRL1, OPRD1, OPRK1 ASIC3 615/4885TDP2 4641/4885CD274 1206/4885
US-20140323487-A1 Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors OPRL1, OPRM1, OPRK1 ASIC3 540/4885TDP2 4533/4885CD274 1934/4885
US-20140100255-A1 Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors OPRL1, OPRM1, OPRK1 ASIC3 540/4885TDP2 4533/4885CD274 1934/4885

“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.