SCHEMBL17328219

SCHEMBL17328219

CC1CN(C(=O)c2ccccc2F)CC2(CCN(C(=O)OC(C)(C)C)CC2)O1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 2/20 0.43
▸ PARP1 P09874 6/20 0.42
▸ TNKS O95271 3/20 0.42
▸ TNKS2 Q9H2K2 3/20 0.42
▸ IDO1 P14902 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ SCD5 Q86SK9 1/20 0.39
▸ MAPT P10636 2/20 0.39
▸ GPR119 Q8TDV5 2/20 0.39
▸ SMN1; SMN2 Q16637 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
SCHEMBL19107366 1.00 EPHX2 (0.43) EPHX2PARP1TNKSTNKS2IDO1
SCHEMBL20058330 0.92 HPGD (0.42) EPHX2PARP1TNKSTNKS2IDO1
SCHEMBL17328247 0.89 EPHX2 (0.42) EPHX2IDO1SCD5GPR119
SCHEMBL19107364 0.89 PARP1 (0.43) PARP1TNKSTNKS2TP53THRB
SCHEMBL19107367 0.89 CPS1 (0.42) PARP1TNKSTNKS2TP53THRB
SCHEMBL19107368 0.88 POLB (0.45) EPHX2IDO1TP53THRBPOLB
SCHEMBL17328224 0.86 KMT2A (0.46) KDM4ESCD5GPR119SMN1; SMN2
SCHEMBL19096862 0.86 MEN1 (0.44) EPHX2TP53KDM4E
SCHEMBL17328258 0.85 PARP1 (0.47) EPHX2PARP1TNKSTNKS2IDO1
SCHEMBL20058430 0.84 KDM4E (0.45) EPHX2TP53KDM4EMAPT

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 2094/4885PARP1 2078/4885TNKS 3507/4885

“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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