SCHEMBL17328261

SCHEMBL17328261

CC(C)(C)OC(=O)N1CCC2(CC1)CN(C(=O)c1ccccn1)CCO2

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 4/20 0.58
▸ SCD5 Q86SK9 1/20 0.48
▸ MGLL Q99685 1/20 0.47
▸ CHRM2 P08172 7/20 0.46
▸ CHRM3 P20309 7/20 0.46
▸ GPR119 Q8TDV5 2/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ POLB P06746 1/20 0.44
▸ PIK3CA P42336 1/20 0.43
▸ MTOR P42345 1/20 0.43
▸ NAMPT P43490 1/20 0.43
▸ OPRD1 P41143 1/20 0.41
▸ OPRK1 P41145 1/20 0.41

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
SCHEMBL17328253 0.88 SCD5 (0.48) EPHX2SCD5GPR119L3MBTL1POLB
SCHEMBL17328213 0.84 CHRM2 (0.56) EPHX2SCD5MGLLCHRM2CHRM3
SCHEMBL19096874 0.84 EPHX2 (0.62) EPHX2MGLLCHRM2CHRM3L3MBTL1
SCHEMBL17328260 0.83 GPR119 (0.45) EPHX2SCD5GPR119L3MBTL1POLB
SCHEMBL20025475 0.82 GPR119 (0.59) MGLLGPR119
SCHEMBL2142176 0.82 CHRM2 (0.54) EPHX2SCD5CHRM2CHRM3PIK3CA
SCHEMBL1088005 0.81 L3MBTL1 (0.69) GPR119L3MBTL1POLB
SCHEMBL2143363 0.81 CHRM2 (0.61) EPHX2SCD5CHRM2CHRM3PIK3CA
SCHEMBL1247151 0.79 CHRM2 (0.64) SCD5MGLLCHRM2CHRM3PIK3CA
SCHEMBL1246052 0.79 CHRM2 (0.64) EPHX2SCD5MGLLCHRM2CHRM3

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-3149005-B1 AMIDE DERIVATIVES OF 1-OXA-4,9-DIAZASPIRO UNDECANE COMPOUNDS HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE LABOR DR (ES) 2018-04-18 — — EP disclosed
US-20170197984-A1 AMIDE DERIVATIVES OF 1-OXA-4,9-DIAZASPIRO UNDECANE COMPOUNDS HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS, S.A. (ES) 2017-07-13 — — US disclosed
US-20170197984-A1 AMIDE DERIVATIVES OF 1-OXA-4,9-DIAZASPIRO UNDECANE COMPOUNDS HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS, S.A. (ES) 2017-07-13 — — US disclosed
WO-2015185208-A1 AMIDE DERIVATIVES OF 1-OXA-4,9-DIAZASPIRO UNDECANE COMPOUNDS HAVING MULTIMODAL ACTIVITY AGAINST PAIN LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2015-12-10 — — 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-20170197984-A1 AMIDE DERIVATIVES OF 1-OXA-4,9-DIAZASPIRO UNDECANE COMPOUNDS HAVING MULTIMODAL ACTIVITY AGAINST PAIN OPRD1, SIGMAR1, OPRM1 EPHX2 2094/4885SCD5 2111/4885MGLL 3651/4885

“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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