SCHEMBL17328215

SCHEMBL17328215

CC(C)S(=O)(=O)N1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 11/20 0.47
▸ NAMPT P43490 2/20 0.45
▸ USP2 O75604 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ GPR119 Q8TDV5 3/20 0.42
▸ RECQL P46063 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
SCHEMBL18418178 0.83 SMN1; SMN2 (0.52) MGLLNAMPTUSP2SMN1; SMN2GPR119
SCHEMBL20025275 0.81 USP2 (0.50) MGLLNAMPTUSP2SMN1; SMN2RECQL
SCHEMBL20555903 0.80 USP2 (0.47) MGLLNAMPTUSP2SMN1; SMN2GPR119
SCHEMBL17328229 0.79 MGLL (0.70) MGLLNAMPTGPR119
SCHEMBL24803194 0.78 USP2 (0.54) MGLLNAMPTUSP2SMN1; SMN2GPR119
SCHEMBL12626975 0.78 USP2 (0.44) USP2SMN1; SMN2GPR119RECQL
SCHEMBL2960741 0.78 USP2 (0.51) MGLLNAMPTUSP2SMN1; SMN2GPR119
SCHEMBL18053621 0.77 USP2 (0.59) MGLLUSP2SMN1; SMN2GPR119RECQL
SCHEMBL18418201 0.77 MGLL (0.72) MGLLNAMPT
SCHEMBL20058341 0.77 MGLL (0.44) MGLLNAMPTUSP2SMN1; SMN2GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10065971-B2 Amide derivatives of 1-oxa-4,9-diazaspiro undecane compounds having multimodal activity against pain ESTEVE PHARMACEUTICALS S.A. (ES) 2018-09-04 — — US disclosed
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
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 (2 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-10065971-B2 Amide derivatives of 1-oxa-4,9-diazaspiro undecane compounds having multimodal activity against pain OPRD1, SIGMAR1, OPRM1 MGLL 3651/4885NAMPT 3307/4885USP2 2074/4885
US-20170197984-A1 AMIDE DERIVATIVES OF 1-OXA-4,9-DIAZASPIRO UNDECANE COMPOUNDS HAVING MULTIMODAL ACTIVITY AGAINST PAIN OPRD1, SIGMAR1, OPRM1 MGLL 3651/4885NAMPT 3307/4885USP2 2074/4885

“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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