SCHEMBL17411219

SCHEMBL17411219

COc1ccc(N2CCC3(CC2)CN(C(=O)OC(C)(C)C)C3)cc1N

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HDAC2 Q92769 2/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ GPR183 P32249 1/20 0.45
▸ CYP11B2 P19099 1/20 0.43
▸ SCD5 Q86SK9 1/20 0.42
▸ ALK Q9UM73 4/20 0.41
▸ GPR119 Q8TDV5 3/20 0.41
▸ PDK2 Q15119 1/20 0.41
▸ PDE4B Q07343 1/20 0.41
▸ ABCB1 P08183 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ ACACB O00763 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
SCHEMBL17411143 0.95 HDAC2 (0.43) HDAC2HDAC1GPR183CYP11B2SCD5
SCHEMBL15862951 0.86 LMNA (0.54) ALKGPR119PDK2ABCB1ALDH1A1
SCHEMBL22954519 0.86 HDAC2 (0.52) HDAC2HDAC1GPR183CYP11B2SCD5
SCHEMBL24793977 0.84 HDAC2 (0.49) HDAC2HDAC1GPR183CYP11B2SCD5
SCHEMBL29709716 0.84 HDAC2 (0.49) HDAC2HDAC1GPR183CYP11B2SCD5
SCHEMBL30497506 0.83 CYP3A4 (0.47) HDAC2HDAC1ALKGPR119PDK2
SCHEMBL17411226 0.83 CYP3A4 (0.47) HDAC2HDAC1ALKGPR119PDK2
SCHEMBL17411216 0.83 ALDH1A1 (0.50) GPR183CYP11B2ALDH1A1LMNAMAPT
SCHEMBL12005361 0.83 GPR119 (0.49) HDAC2HDAC1GPR183CYP11B2SCD5
SCHEMBL28795270 0.83 HDAC2 (0.50) HDAC2HDAC1GPR183CYP11B2SCD5

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3165530-B1 SPIROCYCLIC ARYL PHOSPHORUS OXIDE AND ARYL PHOSPHORUS SULFIDE QILU PHARMACEUTICAL CO LTD (CN) 2018-12-05 — — EP disclosed
US-10053477-B2 Spirocyclic aryl phosphorus oxide and aryl phosphorus sulfide QILU PHARMACEUTICAL CO., LTD. (CN) 2018-08-21 — — US disclosed
US-20170129909-A1 SPIROCYCLIC ARYL PHOSPHORUS OXIDE AND ARYL PHOSPHORUS SULFIDE QUILU PHARMACEUTICAL CO., LTD. (CN) 2017-05-11 — — US disclosed
EP-3165530-A1 SPIROCYCLIC ARYL PHOSPHORUS OXIDE AND ARYL PHOSPHORUS SULFIDE Qilu Pharmaceutical Co., Ltd (CN) 2017-05-10 — — EP disclosed
WO-2016000581-A1 SPIROCYCLIC ARYL PHOSPHORUS OXIDE AND ARYL PHOSPHORUS SULFIDE 南京明德新药研发股份有限公司 2016-01-07 — — 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 (2 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-20170129909-A1 SPIROCYCLIC ARYL PHOSPHORUS OXIDE AND ARYL PHOSPHORUS SULFIDE ALK, ROS1, ARSA HDAC2 3295/4885HDAC1 2432/4885GPR183 1449/4885
US-10053477-B2 Spirocyclic aryl phosphorus oxide and aryl phosphorus sulfide ALK, ROS1, ARSA HDAC2 3295/4885HDAC1 2432/4885GPR183 1449/4885

“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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