SCHEMBL21885839

SCHEMBL21885839

C[C@]1(OC2CCCCO2)C[C@H](CSc2nc3ccccc3s2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.44
CYP2D6 P10635 4/20 0.44
CYP3A4 P08684 3/20 0.43
CYP2C19 P33261 3/20 0.43
CYP2C9 P11712 1/20 0.43
STAT6 P42226 1/20 0.43
CTSK P43235 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
MAPK1 P28482 1/20 0.41
HIF1A Q16665 1/20 0.41
ALDH1A1 P00352 8/20 0.40
MAPT P10636 5/20 0.40
HPGD P15428 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
HSD17B10 Q99714 4/20 0.40
TXN P10599 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL21826830 1.00 CYP1A2 (0.44) CYP1A2CYP2D6CYP3A4CYP2C19CYP2C9
SCHEMBL21826862 0.81 CYP1A2 (0.48) CYP1A2CYP2D6CYP3A4CYP2C19CYP2C9
SCHEMBL21826865 0.81 CYP1A2 (0.48) CYP1A2CYP2D6CYP3A4CYP2C19CYP2C9
SCHEMBL21826805 0.79 ALDH1A1 (0.39) L3MBTL1MAPK1ALDH1A1MAPTSMN1; SMN2
SCHEMBL21885845 0.79 ALDH1A1 (0.39) L3MBTL1MAPK1ALDH1A1MAPTSMN1; SMN2
SCHEMBL28649658 0.79 HSD17B10 (0.34) CTSKALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL31424365 0.75 CYP1A2 (0.48) CYP1A2CYP2D6CYP3A4CYP2C19CYP2C9
SCHEMBL29419586 0.73 CYP1A2 (0.63) CYP1A2CYP2D6CYP3A4CYP2C19CYP2C9
SCHEMBL28718767 0.73 CYP1A2 (0.63) CYP1A2CYP2D6CYP3A4CYP2C19CYP2C9
SCHEMBL11948975 0.73 CYP1A2 (0.41) CYP1A2CYP2D6CYP3A4CYP2C19CTSK

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 4 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-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 CYP1A2 2827/4885CYP2D6 2016/4885CYP3A4 3572/4885
US-20230165854-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH APJ RECEPTOR ACTIVITY APLNR, AGTR1, AGTR2 CYP1A2 2827/4885CYP2D6 2016/4885CYP3A4 3572/4885

“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.