SCHEMBL1645946

SCHEMBL1645946

COC(=O)c1cc(CN2CCOCC2)cnc1OC

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 1/20 0.48
▸ HCRTR2 O43614 1/20 0.48
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ PIK3CA P42336 2/20 0.45
▸ GCK P35557 1/20 0.45
▸ TSHR P16473 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ EPAS1 Q99814 1/20 0.43
▸ FAAH O00519 1/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ TBK1 Q9UHD2 1/20 0.42
▸ BDKRB1 P46663 1/20 0.42

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
SCHEMBL17478731 0.85 HCRTR1 (0.54) HCRTR1HCRTR2SMN1; SMN2KMT2AMEN1
SCHEMBL17478943 0.84 OPRK1 (0.52) HCRTR1HCRTR2SMN1; SMN2MAPK1
SCHEMBL17478877 0.82 OPRK1 (0.50) HCRTR1HCRTR2SMN1; SMN2MAPK1
SCHEMBL17607829 0.79 FGFR2 (0.46) SMN1; SMN2KMT2AMEN1PIK3CANPC1
SCHEMBL31133115 0.78 HCRTR1 (0.48) HCRTR1HCRTR2SMN1; SMN2MAPK1TSHR
SCHEMBL31132655 0.78 HCRTR1 (0.48) HCRTR1HCRTR2SMN1; SMN2MAPK1TSHR
SCHEMBL13161998 0.76 SMN1; SMN2 (0.55) HCRTR1HCRTR2SMN1; SMN2KMT2AMAPK1
SCHEMBL31003833 0.76 HIF1A (0.58) SMN1; SMN2KMT2AMAPK1TSHRHIF1A
SCHEMBL2249598 0.76 HIF1A (0.58) SMN1; SMN2KMT2AMAPK1TSHRHIF1A
SCHEMBL1013959 0.75 HTT (0.59) HCRTR1HCRTR2SMN1; SMN2KMT2AMEN1

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
EP-2314295-B1 Pharmaceutical compositions for the prevention and treatment of complex diseases and their delivery by insertable medical devices RESVERLOGIX INC (CA) 2015-01-28 — — EP disclosed
US-8410109-B2 Pharmaceutical compositions for the prevention and treatment of complex diseases and their delivery by insertable medical devices RESVERLOGIX CORP. (CA) 2013-04-02 — — US disclosed
EP-2314295-A1 Pharmaceutical compositions for the prevention and treatment of complex diseases and their delivery by insertable medical devices Resverlogix, Inc (CA) 2011-04-27 — — EP disclosed
US-20090029987-A1 Pharmaceutical Compositions for the Prevention and Treatment of Complex Diseases and Their Delivery by Insertable Medical Devices RESVERLOGIX CORP. (CA) 2009-01-29 — — 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 (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-20090029987-A1 Pharmaceutical Compositions for the Prevention and Treatment of Complex Diseases and Their Delivery by Insertable Medical Devices VCAM1, ICAM1, TGFB1 HCRTR1 2912/4885HCRTR2 2902/4885SMN1; SMN2 1664/4885

“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.

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