SCHEMBL4566138

SCHEMBL4566138

CC(C)(C)OC(=O)OC(=O)C1CCCN1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.36
SCN3A Q9NY46 1/20 0.36
SCN5A Q14524 1/20 0.36
DPP4 P27487 6/20 0.36
DPP8 Q6V1X1 4/20 0.36
DPP9 Q86TI2 4/20 0.36
FAP Q12884 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
NOS2 P35228 2/20 0.35
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
PRCP P42785 1/20 0.35
SCN4A P35499 1/20 0.33
ELANE P08246 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL419515 1.00 SCN9A (0.36) SCN9ASCN3ASCN5ADPP4DPP8
SCHEMBL2646342 1.00 SCN9A (0.36) SCN9ASCN3ASCN5ADPP4DPP8
SCHEMBL20492529 0.98 SCN9A (0.35) SCN9ASCN3ASCN5ADPP4DPP8
SCHEMBL14135102 0.95 SCN9A (0.33) SCN9ASCN3ASCN5ADPP4DPP8
SCHEMBL28120063 0.95 SCN9A (0.33) SCN9ASCN3ASCN5ADPP4DPP8
SCHEMBL248747 0.86 NOS2 (0.39) SCN9ASCN3ASCN5ADPP4DPP8
SCHEMBL40093 0.86 NOS2 (0.39) SCN9ASCN3ASCN5ADPP4DPP8
SCHEMBL248746 0.86 NOS2 (0.39) SCN9ASCN3ASCN5ADPP4DPP8
SCHEMBL632759 0.85 SCN9A (0.35) SCN9ASCN3ASCN5ADPP4DPP8
Hydrochloric Acid SCHEMBL661790 0.84 NOS2 (0.38) SCN9ASCN3ASCN5ADPP4DPP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3707140-A1 PURINE BASED COMPOUNDS AS TOLL-LIKE RECEPTOR 9 ANTAGONIST Council of Scientific and Industrial Research (IN) 2020-09-16 EP claimed
WO-2023226965-A1 ROCK INHIBITORS AND USES THEREOF DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD. (CN) 2023-11-30 WO disclosed
US-20230011869-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-12 US disclosed
WO-2020248123-A1 HYDROXYPYRROLIDINE-SUBSTITUTED ARYLSULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS MERCK SHARP & DOHME CORP. (US) 2020-12-17 WO disclosed
EP-3707140-A1 PURINE BASED COMPOUNDS AS TOLL-LIKE RECEPTOR 9 ANTAGONIST Council of Scientific and Industrial Research (IN) 2020-09-16 EP disclosed
EP-3679051-A1 PREPARATION AND USE OF REACTIVE OXYGEN SPECIES SCAVENGER XW Laboratories Inc. (KY) 2020-07-15 EP disclosed
EP-3668837-A1 PREPARATION AND USES OF REACTIVE OXYGEN SPECIES SCAVENGER DERIVATIVES XW Laboratories Inc. (KY) 2020-06-24 EP disclosed
WO-2019041361-A1 PREPARATION AND USE OF REACTIVE OXYGEN SPECIES SCAVENGER XW LABORATORIES, INC. (CN) 2019-03-07 WO disclosed
CN-105968101-B Application as the compound of hepatitis c inhibitor and its in drug 广东东阳光药业有限公司 2019-03-01 CN disclosed
WO-2019033330-A1 PREPARATION AND USES OF REACTIVE OXYGEN SPECIES SCAVENGER DERIVATIVES XW LABORATORIES, INC. (CN) 2019-02-21 WO disclosed
EP-2121603-A2 6' SUBSTITUTED INDOLE AND INDAZOLE DERIVATIVES HAVING 5-HT6 RECEPTOR AFFINITY Memory Pharmaceuticals Corporation (US) 2009-11-25 EP disclosed
WO-2008101247-A2 6 ' SUBSTITUTED INDOLE AND INDAZOLE DERIVATIVES HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2008-08-21 WO disclosed
EP-1404325-A2 METHOD FOR TREATING NERVE INJURY CAUSED BY SURGERY GUILFORD PHARMACEUTICALS INC. (US) 2004-04-07 EP disclosed
WO-2002096420-A2 METHOD FOR TREATING NERVE INJURY CAUSED BY SURGERY GUILFORD PHARMACEUTICALS INC. (US) 2002-12-05 WO disclosed
EP-1127049-A1 BRIDGED HETEROCYCLIC DERIVATIVES GPI NIL Holdings, Inc. (US) 2001-08-29 EP disclosed
EP-1105112-A2 COMPOSITIONS AND USES FOR VISION AND MEMORY DISORDERS GPI NIL Holdings, Inc. (US) 2001-06-13 EP disclosed
WO-2000016603-A2 BRIDGED HETEROCYCLIC DERIVATIVES GPI NIL HOLDINGS, INC. (US) 2000-03-30 WO disclosed
EP-0983054-A1 HAIR GROWTH COMPOSITIONS AND USES GPI NIL Holdings, Inc. (US) 2000-03-08 EP disclosed
WO-2000009108-A2 COMPOSITIONS AND USES FOR VISION AND MEMORY DISORDERS GPI NIL HOLDINGS, INC. (US) 2000-02-24 WO disclosed
WO-1998055090-A1 HAIR GROWTH COMPOSITIONS AND USES GUILFORD PHARMACEUTICALS INC. (US) 1998-12-10 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 (1 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-20230011869-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, O60361, MYD88 SCN9A 3732/4885SCN3A 2288/4885SCN5A 318/4885

“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.