Sugi Predict

Sugi Predict / Compounds / SCHEMBL1785976

SCHEMBL1785976

SCHEMBL1785976

C[Si](C)(C)CCOCn1cnc(-c2cccc(Br)c2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 3/20 0.39
▸ HDAC1 Q13547 7/20 0.38
▸ HDAC6 Q9UBN7 7/20 0.38
▸ NPC1 O15118 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ AHR P35869 1/20 0.35
▸ XPO1 O14980 2/20 0.35
▸ DHPS P49366 1/20 0.35
▸ MAPT P10636 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ GABRA1 P14867 1/20 0.34
▸ GABRG2 P18507 1/20 0.34
▸ GABRB3 P28472 1/20 0.34
▸ GABRA5 P31644 1/20 0.34
▸ GABRA3 P34903 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
SCHEMBL3508159 0.86 DGAT1 (0.40) DGAT1HDAC1HDAC6NPC1SMN1; SMN2
SCHEMBL10276944 0.83 S1PR1 (0.42) DGAT1HDAC1HDAC6MAPT
SCHEMBL30722053 0.82 DGAT1 (0.41) DGAT1HDAC1HDAC6
SCHEMBL1441102 0.82 DGAT1 (0.35) DGAT1HDAC1HDAC6XPO1MAPT
SCHEMBL10276518 0.82 DGAT1 (0.41) DGAT1HDAC1HDAC6
SCHEMBL1789402 0.81 HDAC1 (0.40) DGAT1HDAC1HDAC6NPC1XPO1
SCHEMBL13275102 0.81 LIPG (0.36) DGAT1HDAC1HDAC6XPO1
SCHEMBL1441262 0.80 DGAT1 (0.45) DGAT1NPC1MAPTKDM4E
SCHEMBL30726006 0.79 HDAC1 (0.46) DGAT1HDAC1HDAC6NPC1SMN1; SMN2
SCHEMBL10276697 0.79 DGAT1 (0.59) DGAT1HDAC1HDAC6NPC1RAB9A

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 16 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-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
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
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
EP-2054383-A2 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS SmithKline Beecham Corporation (US) 2009-05-06 — — EP 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 DGAT1 2722/4885HDAC1 2440/4885HDAC6 1298/4885
US-20100113512-A1 METHOD OF TREATMENT USING NOVEL ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS OPRL1, OPRD1, OPRK1 DGAT1 1250/4885HDAC1 1478/4885HDAC6 1760/4885
US-20140323487-A1 Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors OPRL1, OPRM1, OPRK1 DGAT1 2722/4885HDAC1 2440/4885HDAC6 1298/4885
US-20140100255-A1 Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors OPRL1, OPRM1, OPRK1 DGAT1 2722/4885HDAC1 2440/4885HDAC6 1298/4885

“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.