Sugi Predict

Sugi Predict / Compounds / SCHEMBL580098

SCHEMBL580098

SCHEMBL580098

NC(=O)c1ccc(Oc2ccc(CCNCc3ccccc3)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 14/20 1.00
▸ OPRD1 P41143 13/20 1.00
▸ OPRK1 P41145 10/20 1.00
▸ GRIN2D O15399 1/20 0.74
▸ GRIN3B O60391 1/20 0.74
▸ SLC6A2 P23975 1/20 0.74
▸ SLC6A3 Q01959 1/20 0.74
▸ GRIN1 Q05586 1/20 0.74
▸ KCNH2 Q12809 1/20 0.74
▸ GRIN2A Q12879 1/20 0.74
▸ GRIN2B Q13224 1/20 0.74
▸ ROCK1 Q13464 1/20 0.74
▸ GRIN2C Q14957 1/20 0.74
▸ GRIN3A Q8TCU5 1/20 0.74
▸ MEN1 O00255 1/20 0.61
▸ KMT2A Q03164 1/20 0.61
▸ ATM Q13315 1/20 0.61
▸ LTA4H P09960 1/20 0.60
▸ EPHX2 P34913 1/20 0.60
▸ PARP10 Q53GL7 1/20 0.58

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
SCHEMBL3692341 1.00 OPRM1 (1.00) OPRM1OPRD1OPRK1GRIN2DGRIN3B
SCHEMBL3690849 0.90 OPRM1 (0.82) OPRM1OPRD1OPRK1GRIN2DGRIN3B
SCHEMBL3700420 0.88 OPRM1 (0.79) OPRM1OPRD1OPRK1GRIN2DGRIN3B
SCHEMBL579506 0.87 OPRM1 (0.76) OPRM1OPRD1OPRK1GRIN2DGRIN3B
SCHEMBL580223 0.86 OPRM1 (0.76) OPRM1OPRD1OPRK1GRIN2DGRIN3B
SCHEMBL13285462 0.86 OPRM1 (0.88) OPRM1OPRD1OPRK1GRIN2DGRIN3B
SCHEMBL3702187 0.86 OPRM1 (1.00) OPRM1OPRD1OPRK1GRIN2DGRIN3B
SCHEMBL3698270 0.86 OPRM1 (1.00) OPRM1OPRD1OPRK1GRIN2DGRIN3B
SCHEMBL9154589 0.85 LTA4H (0.79) OPRM1OPRD1OPRK1GRIN2DGRIN3B
SCHEMBL3693981 0.85 OPRM1 (0.74) OPRM1OPRD1OPRK1GRIN2DGRIN3B

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1735268-B1 OPIOID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2012-02-15 — — EP claimed
US-7378448-B2 Diphenylether amide derivatives as opioid receptor antagonists ELI LILLY AND COMPANY (US) 2008-05-27 — — US claimed
US-20070066658-A1 OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2007-03-22 — — US claimed
EP-1735268-A1 OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2006-12-27 — — EP claimed
WO-2005092836-A1 OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-10-06 — — WO claimed
US-8338611-B2 Opioid receptor antagonists ELI LILLY AND COMPANY (US) 2012-12-25 — — US disclosed
EP-1735268-B1 OPIOID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2012-02-15 — — EP disclosed
US-20080269296-A1 DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONISTS BLANCO-PILLADO MARIA-JESUS 2008-10-30 — — US disclosed
US-20080269296-A1 DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONISTS BLANCO-PILLADO MARIA-JESUS 2008-10-30 — — US disclosed
US-20080207701-A1 OPIOID RECEPTOR ANTAGONISTS CHAPPELL MARK DONALD 2008-08-28 — — US disclosed
US-7378448-B2 Diphenylether amide derivatives as opioid receptor antagonists ELI LILLY AND COMPANY (US) 2008-05-27 — — US disclosed
US-20070066658-A1 OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2007-03-22 — — US disclosed
WO-2005092836-A1 OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-10-06 — — WO disclosed
US-20050043337-A1 Selective beta3 adrenergic agonists RITO CHRISTOPHER J (US) 2005-02-24 — — US disclosed
US-6686372-B2 ANTIDIABETIC AGENTS; DIETETICS ELI LILLY AND COMPANY 2004-02-03 — — US disclosed
US-20020165234-A1 Selective B3 adrenergic agonists CROWELL THOMAS A (US) 2002-11-07 — — US disclosed
US-6413991-B1 ANTIDIABETIC AGENTS; DIETETICS ELI LILLY AND COMPANY 2002-07-02 — — US disclosed
EP-0827746-B1 Carbazole analogues as selective beta3 adrenergic agonists LILLY CO ELI (US) 2002-04-03 — — EP disclosed
US-6140352-A FOR AGONIZING THE BETA 3 ADRENERGIC RECEPTOR TO TREAT TYPE II DIABETES AND OBESITY ELI LILLY AND COMPANY (US) 2000-10-31 — — US disclosed
WO-1998009625-A1 SELECTIVE β3 ADRENERGIC AGONISTS ELI LILLY AND COMPANY (US) 1998-03-12 — — 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 (5 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-20080269296-A1 DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONISTS OPRM1, OPRD1, OPRL1 OPRM1 1/4885OPRD1 2/4885OPRK1 4/4885
US-20080207701-A1 OPIOID RECEPTOR ANTAGONISTS OPRD1, OPRM1, OPRK1 OPRM1 2/4885OPRD1 1/4885OPRK1 3/4885
US-20070066658-A1 OPIOID RECEPTOR ANTAGONISTS OPRD1, OPRM1, OPRK1 OPRM1 2/4885OPRD1 1/4885OPRK1 3/4885
US-20050043337-A1 Selective beta3 adrenergic agonists ADRB3, ADRB2, ADRB1 OPRM1 80/4885OPRD1 24/4885OPRK1 32/4885
US-20020165234-A1 Selective B3 adrenergic agonists ADRB3, ADRB2, ADRB1 OPRM1 96/4885OPRD1 93/4885OPRK1 58/4885

“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.