SCHEMBL23660686

SCHEMBL23660686

CCOC(=O)CC(n1cccn1)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.38
HPGD P15428 4/20 0.38
HSD17B10 Q99714 3/20 0.38
LMNA P02545 2/20 0.38
NLRP3 Q96P20 1/20 0.34
TSHR P16473 2/20 0.33
CYP3A4 P08684 2/20 0.33
ALOX15 P16050 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 4/20 0.32
HTT P42858 1/20 0.32
CHRM1 P11229 1/20 0.32
ADORA1 P30542 1/20 0.32
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
PDE4A P27815 1/20 0.32
MAPK1 P28482 1/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL23666174 0.89 ALDH1A1 (0.36) ALDH1A1HPGDHSD17B10LMNANLRP3
SCHEMBL23666120 0.87 ALDH1A1 (0.35) ALDH1A1HPGDHSD17B10LMNANLRP3
SCHEMBL25447345 0.85 MAPT (0.35) MEN1KMT2A
SCHEMBL24900643 0.81 ALDH1A1 (0.36) ALDH1A1HPGDHSD17B10LMNANLRP3
SCHEMBL17869461 0.81 MEN1 (0.42) ALDH1A1HPGDHSD17B10LMNANLRP3
SCHEMBL23660685 0.80 MEN1 (0.33) HTTMEN1KMT2A
SCHEMBL23666059 0.79 NLRP3 (0.38) ALDH1A1HPGDHSD17B10LMNANLRP3
SCHEMBL23666065 0.77 ALDH1A1 (0.35) ALDH1A1HPGDHSD17B10LMNANLRP3
SCHEMBL26444558 0.77 NLRP3 (0.36) ALDH1A1HPGDHSD17B10LMNANLRP3
SCHEMBL23660694 0.77 ALDH1A1 (0.33) ALDH1A1HPGDHSD17B10LMNANLRP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230147833-A1 OPTICALLY PURE OXASPIRO-SUBSTITUTED PYRROLOPYRAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF YANGTZE RIVER PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-05-11 US disclosed
US-20230147833-A1 OPTICALLY PURE OXASPIRO-SUBSTITUTED PYRROLOPYRAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF YANGTZE RIVER PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-05-11 US disclosed
US-20230128062-A1 AZABICYCLIC SUBSTITUTED OXASPIRO DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2023-04-27 US disclosed
US-20230128062-A1 AZABICYCLIC SUBSTITUTED OXASPIRO DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2023-04-27 US disclosed
WO-2021143801-A1 AZABICYCLIC SUBSTITUTED OXASPIRO DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 上海海雁医药科技有限公司 2021-07-22 WO disclosed
WO-2021143803-A1 OPTICALLY PURE OXASPIRO-SUBSTITUTED PYRROLOPYRAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF 上海海雁医药科技有限公司 2021-07-22 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-20230147833-A1 OPTICALLY PURE OXASPIRO-SUBSTITUTED PYRROLOPYRAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF WEE1, CYP51A1, CYP4F11 ALDH1A1 333/4885HPGD 193/4885HSD17B10 1324/4885
US-20230128062-A1 AZABICYCLIC SUBSTITUTED OXASPIRO DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF CYP4A11, CYP51A1, CYP4F11 ALDH1A1 262/4885HPGD 268/4885HSD17B10 765/4885

“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.