SCHEMBL1786205

SCHEMBL1786205

O=S1(=O)NCCN1c1cccc(-c2ccc(CNC3Cc4ccccc4C3)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.46
SLC2A1 P11166 3/20 0.43
MEN1 O00255 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
OPRM1 P35372 2/20 0.39
OPRD1 P41143 2/20 0.39
OPRK1 P41145 2/20 0.39
VCP P55072 3/20 0.38
HTR5A P47898 1/20 0.38
FYN P06241 1/20 0.38
GRIN2B Q13224 1/20 0.38
PRMT5 O14744 1/20 0.36
CARM1 Q86X55 1/20 0.35
PRMT6 Q96LA8 1/20 0.35
OPRL1 P41146 1/20 0.35
HTR1A P08908 1/20 0.34
HTR7 P34969 1/20 0.34

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 SCHEMBL3341541 0.99 HDAC1 (0.46) HDAC1SLC2A1MEN1RAB9AKMT2A
SCHEMBL1786209 0.88 HDAC1 (0.47) HDAC1SLC2A1MEN1RAB9AKMT2A
Hydrochloric Acid SCHEMBL3341543 0.88 HDAC1 (0.46) HDAC1SLC2A1MEN1RAB9AKMT2A
SCHEMBL1787045 0.84 OPRM1 (0.40) HDAC1SLC2A1MEN1RAB9AKMT2A
Hydrochloric Acid SCHEMBL3339880 0.83 MEN1 (0.41) HDAC1SLC2A1MEN1RAB9AKMT2A
SCHEMBL12651394 0.80 HDAC1 (0.47) HDAC1SLC2A1MEN1RAB9AKMT2A
Hydrochloric Acid SCHEMBL3341549 0.79 HDAC1 (0.46) HDAC1SLC2A1MEN1RAB9AKMT2A
SCHEMBL1787990 0.76 HDAC1 (0.47) HDAC1SLC2A1MEN1RAB9AKMT2A
SCHEMBL1788066 0.75 HDAC1 (0.46) HDAC1SLC2A1MEN1RAB9AKMT2A
SCHEMBL1787720 0.75 HDAC1 (0.46) HDAC1SLC2A1MEN1RAB9AKMT2A

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 9 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-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 HDAC1 2440/4885SLC2A1 4173/4885MEN1 4865/4885
US-20100113512-A1 METHOD OF TREATMENT USING NOVEL ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS OPRL1, OPRD1, OPRK1 HDAC1 1478/4885SLC2A1 2287/4885MEN1 4375/4885
US-20140323487-A1 Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors OPRL1, OPRM1, OPRK1 HDAC1 2440/4885SLC2A1 4173/4885MEN1 4865/4885

“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.