SCHEMBL21886045

SCHEMBL21886045

COC(=O)[C@H]1C[C@](C)(OC2CCCCO2)C1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 1/20 0.33
OPRK1 P41145 3/20 0.33
POLB P06746 1/20 0.33
SLC6A3 Q01959 2/20 0.32
ABCB1 P08183 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
TP53 P04637 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
SCHEMBL21826893 1.00 SMN1; SMN2 (0.35) SMN1; SMN2ALDH1A1OPRK1POLBSLC6A3
SCHEMBL21826838 0.74 APLNR (0.31)
SCHEMBL21885843 0.74 APLNR (0.31)
SCHEMBL16831456 0.73 MEN1 (0.31) ABCB1MEN1KMT2A
SCHEMBL24290062 0.73 CHRNB2 (0.38) SMN1; SMN2ALDH1A1OPRK1POLBSLC6A3
SCHEMBL1162010 0.73 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1OPRK1POLBSLC6A3
SCHEMBL11942479 0.73 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1OPRK1POLBSLC6A3
SCHEMBL732890 0.73 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1OPRK1POLBSLC6A3
SCHEMBL21886048 0.71 CA12 (0.31)
SCHEMBL21826873 0.71 CA12 (0.31)

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-20230165854-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH APJ RECEPTOR ACTIVITY SHOUTI INC. 2023-06-01 US disclosed
US-20220125787-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH APJ RECEPTOR ACTIVITY ANNAPURNA BIO, INC. 2022-04-28 US disclosed
WO-2020073011-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH APJ RECEPTOR ACTIVITY ANNAPURNA BIO, INC. (US) 2020-04-09 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-20220125787-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH APJ RECEPTOR ACTIVITY APLNR, AGTR1, AGTR2 SMN1; SMN2 4259/4885ALDH1A1 2722/4885OPRK1 1784/4885
US-20230165854-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH APJ RECEPTOR ACTIVITY APLNR, AGTR1, AGTR2 SMN1; SMN2 4259/4885ALDH1A1 2722/4885OPRK1 1784/4885

“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.