SCHEMBL17328248

SCHEMBL17328248

CC(C)(C)OC(=O)N1CCC2(CC1)CN(C(=O)c1c(F)cccc1F)CC1(CC1)O2

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 8/20 0.45
▸ LMNA P02545 1/20 0.43
▸ SPR P35270 1/20 0.41
▸ GPR119 Q8TDV5 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ SCD5 Q86SK9 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ PARP1 P09874 1/20 0.40
▸ RORC P51449 1/20 0.39

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
SCHEMBL19107356 0.88 HPGD (0.46) EPHX2SPRGPR119SCD5PARP1
SCHEMBL17328258 0.88 PARP1 (0.47) EPHX2GPR119SCD5HTTPARP1
SCHEMBL19107363 0.86 MAPK1 (0.50) LMNACYP1A2CYP2C9CYP2C19
SCHEMBL17328247 0.84 EPHX2 (0.42) EPHX2LMNASPRGPR119CYP1A2
SCHEMBL19107360 0.83 MEN1 (0.48) EPHX2GPR119RORC
SCHEMBL19107362 0.82 PIK3CA (0.44) LMNAGPR119PARP1RORC
SCHEMBL19107357 0.82 PARP1 (0.47) LMNAGPR119PARP1RORC
SCHEMBL19107361 0.81 HPGD (0.44) EPHX2SPRGPR119SCD5PARP1
SCHEMBL19107359 0.81 PARP1 (0.45) EPHX2GPR119SCD5HTTPARP1
SCHEMBL15171024 0.80 SPR (0.61) EPHX2LMNASPRSCD5PARP1

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 2094/4885LMNA 4163/4885SPR 3473/4885

“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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