SCHEMBL17328247

SCHEMBL17328247

CC1CN(C(=O)c2c(F)cccc2F)CC2(CCN(C(=O)OC(C)(C)C)CC2)O1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 8/20 0.42
▸ GPR119 Q8TDV5 5/20 0.39
▸ LMNA P02545 1/20 0.39
▸ IDO1 P14902 1/20 0.38
▸ SPR P35270 1/20 0.38
▸ SCD5 Q86SK9 1/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37

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
SCHEMBL20058330 0.89 HPGD (0.42) EPHX2GPR119IDO1SCD5
SCHEMBL17328219 0.89 EPHX2 (0.43) EPHX2GPR119IDO1SCD5
SCHEMBL19107366 0.89 EPHX2 (0.43) EPHX2GPR119IDO1SCD5
SCHEMBL19107365 0.87 MAPK1 (0.46) EPHX2LMNACYP1A2CYP2C9CYP2C19
SCHEMBL19096894 0.85 LMNA (0.44) EPHX2LMNASPRCYP1A2CYP2C9
SCHEMBL17328224 0.85 KMT2A (0.46) GPR119SCD5
SCHEMBL17328248 0.84 EPHX2 (0.45) EPHX2GPR119LMNASPRSCD5
SCHEMBL19107367 0.83 CPS1 (0.42) GPR119LMNA
SCHEMBL19107364 0.83 PARP1 (0.43) GPR119LMNA
SCHEMBL20598448 0.81 MEN1 (0.47) GPR119SCD5

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 2094/4885GPR119 328/4885LMNA 4163/4885

“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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