SCHEMBL17328260

SCHEMBL17328260

CC1CN(C(=O)c2ccccn2)CC2(CCN(C(=O)OC(C)(C)C)CC2)O1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 4/20 0.45
▸ SCD5 Q86SK9 1/20 0.44
▸ EPHX2 P34913 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ RBP4 P02753 4/20 0.42
▸ POLB P06746 1/20 0.42
▸ USP30 Q70CQ3 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ OPRD1 P41143 1/20 0.40
▸ OPRK1 P41145 1/20 0.40
▸ PLA2G1B P04054 1/20 0.39
▸ ATG4B Q9Y4P1 1/20 0.39
▸ CHRNB2 P17787 1/20 0.39
▸ CHRNB4 P30926 1/20 0.39
▸ CHRNA3 P32297 1/20 0.39
▸ CHRNA7 P36544 1/20 0.39
▸ CHRNA4 P43681 1/20 0.39
▸ GRM5 P41594 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38

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
SCHEMBL19096929 0.86 L3MBTL1 (0.48) EPHX2L3MBTL1RBP4PLA2G1BATG4B
SCHEMBL17328253 0.85 SCD5 (0.48) GPR119SCD5EPHX2L3MBTL1RBP4
SCHEMBL17328224 0.85 KMT2A (0.46) GPR119SCD5SMN1; SMN2ALDH1A1
SCHEMBL17328226 0.85 MEN1 (0.43) SCD5POLBUSP30HSD17B10
SCHEMBL20058481 0.85 L3MBTL1 (0.49) EPHX2L3MBTL1RBP4PLA2G1BATG4B
SCHEMBL17328261 0.83 EPHX2 (0.58) GPR119SCD5EPHX2L3MBTL1POLB
SCHEMBL20598279 0.82 MEN1 (0.47) GPR119SCD5USP30ALDH1A1
SCHEMBL20598448 0.82 MEN1 (0.47) GPR119SCD5USP30ALDH1A1
SCHEMBL17328219 0.82 EPHX2 (0.43) GPR119SCD5EPHX2POLBSMN1; SMN2
SCHEMBL18785081 0.82 MEN1 (0.47) GPR119SCD5USP30ALDH1A1

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 GPR119 328/4885SCD5 2111/4885EPHX2 2094/4885

“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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