SCHEMBL23660705

SCHEMBL23660705

CC(C)(C)C1CCc2ccnn21

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
ALOX15 P16050 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL25446932 1.00 GAA (0.34) GAASMN1; SMN2MEN1ALDH1A1MAPT
SCHEMBL25446933 1.00 GAA (0.34) GAASMN1; SMN2MEN1ALDH1A1MAPT
SCHEMBL26365812 0.89 MEN1 (0.33) GAASMN1; SMN2MEN1ALDH1A1MAPT
SCHEMBL26444239 0.86 GAA (0.33) GAASMN1; SMN2MEN1ALDH1A1MAPT
SCHEMBL15779865 0.75
SCHEMBL12179302 0.71
SCHEMBL23660609 0.70 PIK3CD (0.35) GAASMN1; SMN2MEN1ALDH1A1MAPT
SCHEMBL23660610 0.70 PIK3CD (0.35) GAASMN1; SMN2MEN1ALDH1A1MAPT
SCHEMBL14733933 0.70 PIK3CD (0.35) GAASMN1; SMN2MEN1ALDH1A1MAPT
SCHEMBL26785271 0.70 DRD2 (0.36) GAASMN1; SMN2MEN1ALDH1A1MAPT

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 3 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
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 (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-20230147833-A1 OPTICALLY PURE OXASPIRO-SUBSTITUTED PYRROLOPYRAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF WEE1, CYP51A1, CYP4F11 GAA 1206/4885SMN1; SMN2 4162/4885MEN1 2271/4885

“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.