SCHEMBL21946527

SCHEMBL21946527

CC(=O)OCC1=CCCC(C)(C)C1=O

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 7/20 0.36
ALDH1A1 P00352 6/20 0.36
CYP3A4 P08684 1/20 0.36
GAA P10253 2/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
G6PD P11413 1/20 0.33
NLRP3 Q96P20 1/20 0.32
CYP19A1 P11511 2/20 0.32
KDM4E B2RXH2 2/20 0.31
HSD17B10 Q99714 2/20 0.31
GSTA2 P09210 2/20 0.31
IDH1 O75874 1/20 0.31
GSTM1 P09488 1/20 0.30

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
SCHEMBL21853584 0.73 GSTP1 (0.54) GSTP1ALDH1A1CYP3A4NLRP3KDM4E
SCHEMBL10824824 0.70 GSTP1 (0.68) GSTP1ALDH1A1CYP3A4MAPTNLRP3
SCHEMBL1141683 0.69 ALDH1A1 (0.47) GSTP1ALDH1A1CYP3A4SMN1; SMN2NLRP3
SCHEMBL12288881 0.69 PTPN1 (0.40) ALDH1A1CYP3A4CYP19A1
SCHEMBL13034173 0.65 RXRA (0.47) ALDH1A1CYP3A4
SCHEMBL8061402 0.65 ALDH1A1 (0.43) GSTP1ALDH1A1CYP3A4NLRP3KDM4E
SCHEMBL23544215 0.63 ALDH1A1 (0.38) GSTP1ALDH1A1CYP3A4NLRP3KDM4E
SCHEMBL14855693 0.63
SCHEMBL20959823 0.62 ALDH1A1 (0.45) GSTP1ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL13034154 0.62 MEN1 (0.48) ALDH1A1CYP3A4SMN1; SMN2KDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11065235-B2 Substituted methanopyrido [2, 1-a] isoindolones as mAChR modulators for treating various associated pathophysiological conditions and process for preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2021-07-20 US disclosed
US-20200121657-A1 SUBSTITUTED METHANOPYRIDO [2, 1-a] ISOINDOLONES AS mAChR MODULATORS FOR TREATING VARIOUS ASSOCIATED PATHOPHYSIOLOGICAL CONDITIONS AND PROCESS FOR PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2020-04-23 US 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-20200121657-A1 SUBSTITUTED METHANOPYRIDO [2, 1-a] ISOINDOLONES AS mAChR MODULATORS FOR TREATING VARIOUS ASSOCIATED PATHOPHYSIOLOGICAL CONDITIONS AND PROCESS FOR PREPARATION THEREOF CHRM3, CHRM5, ADRB1 GSTP1 911/4885ALDH1A1 888/4885CYP3A4 154/4885
US-11065235-B2 Substituted methanopyrido [2, 1-a] isoindolones as mAChR modulators for treating various associated pathophysiological conditions and process for preparation thereof CHRM1, CHRM3, CHRM5 GSTP1 1055/4885ALDH1A1 738/4885CYP3A4 154/4885

“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.