SCHEMBL17294857

SCHEMBL17294857

O=C(O)N1CC(O)(c2ccccc2)CCC1CO

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 4/20 0.40
▸ GRIN2B Q13224 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ OPRL1 P41146 2/20 0.38
▸ PRMT5 O14744 2/20 0.37
▸ WDR77 Q9BQA1 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ DRD4 P21917 2/20 0.37
▸ HTR1A P08908 1/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ HRH1 P35367 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CNR2 P34972 2/20 0.36
▸ CNR1 P21554 1/20 0.36

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
SCHEMBL17294887 0.87 GRIN2B (0.39) DRD2GRIN2BOPRL1DRD4HTR1A
SCHEMBL17294892 0.82 RORC (0.40) MEN1KMT2A
SCHEMBL18590786 0.76 OPRL1 (0.35) GRIN2BOPRL1POLB
SCHEMBL30694037 0.73 POLB (0.38) POLB
SCHEMBL23706089 0.71 ALDH1A1 (0.50) DRD2ALDH1A1OPRL1PRMT5WDR77
SCHEMBL2971442 0.71 GRIN2B (0.40) DRD2GRIN2BOPRL1DRD4HTR1A
SCHEMBL1669519 0.70 GRIN2B (0.44) DRD2GRIN2BALDH1A1OPRL1POLB
SCHEMBL17294859 0.70 GRIN2B (0.43) GRIN2BOPRL1
SCHEMBL17294879 0.70 GRIN2B (0.43) GRIN2BOPRL1
SCHEMBL25366430 0.69 DRD2 (0.39) DRD2DRD4HTR2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3149002-B1 5-OXA-2-AZABICYCLO[2.2.2]OCTAN-4-YL AND 5-OXA-2-AZABICYCLO[2.2.1]HEPTAN-4-YL DERIVATIVES AS TAAR1 MODULATORS HOFFMANN LA ROCHE (CH) 2018-04-25 — — EP disclosed
US-9663530-B2 5-oxa-2-azabicyclo[2.2.2]OCTAN-4-yl and 5-oxa-2-azabicyclo[2.2.1]heptan-4-yl derivatives HOFFMANN-LA ROCHE INC. (US) 2017-05-30 — — US disclosed
EP-3149002-A1 5-OXA-2-AZABICYCLO[2.2.2]OCTAN-4-YL AND 5-OXA-2-AZABICYCLO[2.2.1]HEPTAN-4-YL DERIVATIVES AS TAAR1 MODULATORS F. Hoffmann-La Roche AG (CH) 2017-04-05 — — EP disclosed
US-20170066775-A1 5-OXA-2-AZABICYCLO[2.2.2]OCTAN-4-YL AND 5-OXA-2-AZABICYCLO[2.2.1]HEPTAN-4-YL DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2017-03-09 — — US disclosed
WO-2015181061-A1 5-OXA-2-AZABICYCLO[2.2.2]OCTAN-4-YL AND 5-OXA-2-AZABICYCLO[2.2.1]HEPTAN-4-YL DERIVATIVES AS TAAR1 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2015-12-03 — — 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-20170066775-A1 5-OXA-2-AZABICYCLO[2.2.2]OCTAN-4-YL AND 5-OXA-2-AZABICYCLO[2.2.1]HEPTAN-4-YL DERIVATIVES GRIN2C, NR3C2, HTR2C DRD2 107/4885GRIN2B 11/4885ALDH1A1 227/4885

“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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