SCHEMBL17328224

SCHEMBL17328224

CC1CN(C(=O)c2ccccc2)CC2(CCN(C(=O)OC(C)(C)C)CC2)O1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.46
▸ MEN1 O00255 5/20 0.46
▸ KDM4E B2RXH2 2/20 0.44
▸ PKM P14618 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ SCD5 Q86SK9 1/20 0.43
▸ GPR119 Q8TDV5 3/20 0.43
▸ MGLL Q99685 2/20 0.43
▸ TSHR P16473 2/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ NPC1L1 Q9UHC9 1/20 0.41
▸ SMN1; SMN2 Q16637 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
SCHEMBL20598279 0.96 MEN1 (0.47) KMT2AMEN1KDM4EPKMALDH1A1
SCHEMBL18785083 0.96 MEN1 (0.47) KMT2AMEN1KDM4EPKMALDH1A1
SCHEMBL18785081 0.96 MEN1 (0.47) KMT2AMEN1KDM4EPKMALDH1A1
SCHEMBL20598448 0.96 MEN1 (0.47) KMT2AMEN1KDM4EPKMALDH1A1
SCHEMBL19107365 0.88 MAPK1 (0.46) KMT2AMEN1ALDH1A1HPGDTSHR
SCHEMBL17328219 0.86 EPHX2 (0.43) KDM4ESCD5GPR119SMN1; SMN2
SCHEMBL19107366 0.86 EPHX2 (0.43) KDM4ESCD5GPR119SMN1; SMN2
SCHEMBL19107368 0.86 POLB (0.45) KMT2AMEN1KDM4EALDH1A1SCD5
SCHEMBL19096873 0.85 HPGD (0.50) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL17328260 0.85 GPR119 (0.45) ALDH1A1SCD5GPR119SMN1; SMN2

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 KMT2A 4180/4885MEN1 4707/4885KDM4E 2379/4885

“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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