SCHEMBL17294892

SCHEMBL17294892

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

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 5/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ KDM1A O60341 1/20 0.40
▸ ABCB1 P08183 1/20 0.40
▸ OPRD1 P41143 1/20 0.39
▸ OPRK1 P41145 1/20 0.39
▸ GPR119 Q8TDV5 1/20 0.39
▸ SRC P12931 4/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ TACR1 P25103 1/20 0.37

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
SCHEMBL24700246 0.85 RORC (0.42) RORCKDM1AGPR119KDM4EPKM
SCHEMBL17294857 0.82 DRD2 (0.40) MEN1KMT2A
SCHEMBL30742997 0.78 NR1H2 (0.38) MEN1KMT2AKDM1ATSHR
SCHEMBL351086 0.77 TSHR (0.52) RORCOPRD1OPRK1GPR119ALOX15
SCHEMBL13771539 0.77 TSHR (0.52) RORCOPRD1OPRK1GPR119ALOX15
SCHEMBL17294854 0.77 RORC (0.42) RORCKDM1AABCB1GPR119ALOX15
SCHEMBL20584659 0.77 RORC (0.42) RORCKDM1AABCB1GPR119ALOX15
SCHEMBL12166405 0.77 RORC (0.42) RORCKDM1AABCB1GPR119ALOX15
SCHEMBL17294853 0.77 RORC (0.42) RORCKDM1AABCB1GPR119ALOX15
SCHEMBL20446551 0.77 RORC (0.42) RORCKDM1AABCB1GPR119ALOX15

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 7 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
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
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 RORC 231/4885MEN1 2735/4885KMT2A 764/4885

“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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