SCHEMBL4499446

SCHEMBL4499446

O=C1NCc2ccc(O)cc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK2 Q16620 2/20 0.56
CLK4 Q9HAZ1 2/20 0.56
DYRK1B Q9Y463 2/20 0.56
TYRO3 Q06418 1/20 0.56
KDR P35968 2/20 0.54
JAK2 O60674 1/20 0.54
NTRK1 P04629 1/20 0.54
MET P08581 1/20 0.54
FGFR1 P11362 1/20 0.54
PRKACA P17612 1/20 0.54
MAP2K2 P36507 1/20 0.54
FLT3 P36888 1/20 0.54
GSK3B P49841 1/20 0.54
MAP2K1 Q02750 1/20 0.54
MST1R Q04912 1/20 0.54
NTRK3 Q16288 1/20 0.54
CAMK1D Q8IU85 1/20 0.54
CA12 O43570 1/20 0.53
CA9 Q16790 1/20 0.53
PBRM1 Q86U86 1/20 0.50

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
SCHEMBL29584703 1.00 NTRK2 (0.56) NTRK2CLK4DYRK1BTYRO3KDR
SCHEMBL618639 0.84 CA12 (0.53) NTRK2CLK4DYRK1BTYRO3KDR
SCHEMBL29853505 0.83 CA9 (0.44) NTRK2CLK4DYRK1BTYRO3KDR
SCHEMBL26775387 0.83 CA9 (0.44) NTRK2CLK4DYRK1BTYRO3KDR
SCHEMBL29438680 0.81 PARP10 (0.69) PBRM1TDP2PARP1PARP10DRD2
SCHEMBL246168 0.81 PARP10 (0.69) PBRM1TDP2PARP1PARP10DRD2
SCHEMBL391991 0.80 PARP10 (0.68) NTRK2CLK4DYRK1BTYRO3KDR
SCHEMBL29506974 0.80 PARP10 (0.68) NTRK2CLK4DYRK1BTYRO3KDR
SCHEMBL22451521 0.78 ESR1 (0.47) KDRCA12CA9PBRM1AURKA
SCHEMBL10201434 0.78 PARP1 (0.56) PBRM1TDP2PARP1PARP10MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023077049-A1 METHODS OF PREPARING 6-MEMBERED AZA-HETEROCYCLIC CONTAINING DELTA-OPIOID RECEPTOR MODULATING COMPOUNDS TREVENA, INC. (US) 2023-05-04 WO claimed
EP-3582779-B1 5-MEMBERED AZA-HETEROCYCLIC CONTAINING DELTA-OPIOID RECEPTOR MODULATING COMPOUNDS, METHODS OF USING AND MAKING THE SAME TREVENA INC (US) 2024-04-17 EP disclosed
CN-117858707-A CBL-B modulators and uses thereof 林伯士克莱奥公司 2024-04-09 CN disclosed
US-11912713-B2 7-membered aza-heterocyclic containing delta-opioid receptor modulating compounds, methods of using and making the same TREVENA, INC. (US) 2024-02-27 US disclosed
US-11912713-B2 7-membered aza-heterocyclic containing delta-opioid receptor modulating compounds, methods of using and making the same TREVENA, INC. (US) 2024-02-27 US disclosed
US-11912713-B2 7-membered aza-heterocyclic containing delta-opioid receptor modulating compounds, methods of using and making the same TREVENA, INC. (US) 2024-02-27 US disclosed
EP-4319756-A1 CBL-B MODULATORS AND USES THEREOF Nimbus Clio, Inc. (US) 2024-02-14 EP disclosed
US-20230303531-A1 5-MEMBERED AZA-HETEROCYCLIC CONTAINING DELTA-OPIOID RECEPTOR MODULATING COMPOUNDS, METHODS OF USING AND MAKING THE SAME TREVENA, INC. 2023-09-28 US disclosed
CN-110446495-B Delta opioid receptor modulating compounds containing 7-membered aza heterocycles and methods of use and preparation thereof 特维娜有限公司 2023-09-05 CN disclosed
US-11702408-B2 5-membered aza-heterocyclic containing delta-opioid receptor modulating compounds, methods of using and making the same TREVENA, INC. (US) 2023-07-18 US disclosed
US-20070149585-A1 Compounds useful as serotonin inhibitors and 5-HT1A agonists and antagonists WYETH (US) 2007-06-28 US disclosed
US-20070149585-A1 Compounds useful as serotonin inhibitors and 5-HT1A agonists and antagonists WYETH (US) 2007-06-28 US disclosed
WO-2006138549-A1 TRICYCLIC COMPOUNDS USEFUL AS SEROTONIN INHIBITORS AND 5-HT1A AGONISTS AND ANTAGONISTS WYETH (US) 2006-12-28 WO disclosed
EP-1545548-A1 THE USE OF THE COMBINATION OF CICLESONIDE AND ANTIHISTAMINES FOR THE TREATMENT OF ALLERGIC RHINITIS ALTANA Pharma AG (DE) 2005-06-29 EP disclosed
EP-1539694-A1 2,3-DIHYDRO-ISOINDOL-1-ONES WITH MAO-B INHIBITING ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2005-06-15 EP disclosed
US-6846832-B2 2,3-dihydro-isoindol-1-one derivatives HOFFMAN-LA ROCHE INC. (US) 2005-01-25 US disclosed
US-20040082603-A1 2,3-Dihydro-isoindol-1-one derivatives HOFFMANN-LA ROCHE INC. 2004-04-29 US disclosed
WO-2004019955-A1 THE USE OF THE COMBINATION OF CICLESONIDE AND ANTIHISTAMINES FOR THE TREATMENT OF ALLERGIC RHINITIS ALTANA PHARMA AG (DE) 2004-03-11 WO disclosed
WO-2004014856-A1 2,3-DIHYDRO-ISOINDOL-1-ONES WITH MAO-B INHIBITING ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2004-02-19 WO disclosed
WO-2004014856-A1 2,3-DIHYDRO-ISOINDOL-1-ONES WITH MAO-B INHIBITING ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2004-02-19 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-11702408-B2 5-membered aza-heterocyclic containing delta-opioid receptor modulating compounds, methods of using and making the same OPRD1, OPRM1, OPRK1 NTRK2 854/4885CLK4 4818/4885DYRK1B 1419/4885
US-11912713-B2 7-membered aza-heterocyclic containing delta-opioid receptor modulating compounds, methods of using and making the same OPRD1, OPRM1, OPRK1 NTRK2 794/4885CLK4 4601/4885DYRK1B 1049/4885
US-20070149585-A1 Compounds useful as serotonin inhibitors and 5-HT1A agonists and antagonists HTR1A, HTR7, HTR3A NTRK2 387/4885CLK4 4057/4885DYRK1B 1121/4885
US-20040082603-A1 2,3-Dihydro-isoindol-1-one derivatives MAOB, MAOA, COMT NTRK2 1343/4885CLK4 4356/4885DYRK1B 1365/4885
US-20230303531-A1 5-MEMBERED AZA-HETEROCYCLIC CONTAINING DELTA-OPIOID RECEPTOR MODULATING COMPOUNDS, METHODS OF USING AND MAKING THE SAME OPRD1, OPRM1, OPRK1 NTRK2 859/4885CLK4 4654/4885DYRK1B 1070/4885

“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.