Sugi Predict

Sugi Predict / Compounds / SCHEMBL1786439

SCHEMBL1786439

SCHEMBL1786439

O=C(Nc1cccc(-c2ccc3c(c2)CCN(CC2CCCCC2)C3)c1)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 2/20 0.46
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ PAX8 Q06710 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ GAA P10253 1/20 0.43
▸ HRH3 Q9Y5N1 1/20 0.43
▸ UBE2M P61081 2/20 0.42
▸ DCUN1D1 Q96GG9 2/20 0.42
▸ PRMT5 O14744 2/20 0.42
▸ WDR77 Q9BQA1 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ HSP90AA1 P07900 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ THRB P10828 3/20 0.41
▸ MCHR1 Q99705 1/20 0.40
▸ DRD2 P14416 2/20 0.39
▸ BCL2L1 Q07817 1/20 0.39

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
SCHEMBL1783581 0.83 NPC1 (0.46) MGLLNPC1RAB9APAX8MEN1
Trifluoroacetic Acid SCHEMBL1786436 0.80 ENPP2 (0.47) HRH3PRMT5WDR77MCHR1
SCHEMBL1791145 0.80 PRMT5 (0.48) PRMT5WDR77DRD2
SCHEMBL3345252 0.80 NAMPT (0.47) NPC1RAB9APAX8UBE2MDCUN1D1
SCHEMBL12607816 0.78 ENPP2 (0.52) MGLLNPC1HRH3PRMT5WDR77
SCHEMBL3339557 0.75 NPC1 (0.41) NPC1RAB9APAX8MEN1HSP90AA1
SCHEMBL2437081 0.68 PRMT5 (0.56) HRH3PRMT5WDR77DRD2
SCHEMBL8199912 0.67 MTTP (0.55) LMNAMAPTGAABCL2L1
SCHEMBL13499611 0.67 HRH3 (0.58) HRH3PRMT5WDR77THRB
SCHEMBL6963131 0.67 HRH3 (0.58) HRH3PRMT5WDR77

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 4 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-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-20100113512-A1 METHOD OF TREATMENT USING NOVEL ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS IGNAR DIANE MICHELE 2010-05-06 — — US 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 MGLL 2945/4885NPC1 3467/4885RAB9A 1186/4885
US-20100113512-A1 METHOD OF TREATMENT USING NOVEL ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS OPRL1, OPRD1, OPRK1 MGLL 609/4885NPC1 3112/4885RAB9A 2340/4885
US-20140323487-A1 Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors OPRL1, OPRM1, OPRK1 MGLL 2945/4885NPC1 3467/4885RAB9A 1186/4885

“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.