SCHEMBL29948415

SCHEMBL29948415

Cn1ccc2c(C=O)cccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
IMPDH2 P12268 1/20 0.59
KDM4E B2RXH2 3/20 0.44
MAPT P10636 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
RHEB Q15382 1/20 0.44
NQO2 P16083 1/20 0.43
PTPN1 P18031 1/20 0.41
CYP2A6 P11509 2/20 0.41
MEN1 O00255 2/20 0.40
LMNA P02545 2/20 0.40
KMT2A Q03164 2/20 0.40
PABPC1 P11940 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD11B1 P28845 2/20 0.40
TRIM24 O15164 1/20 0.39
TRIM33 Q9UPN9 1/20 0.39
THRB P10828 1/20 0.39
BLM P54132 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
SCHEMBL1253598 1.00 ALDH1A1 (0.59) ALDH1A1IMPDH2KDM4EMAPTRXFP1
SCHEMBL28856443 0.84 ALDH1A1 (0.51) ALDH1A1IMPDH2KDM4EMAPTRXFP1
SCHEMBL13720529 0.81 ALDH1A1 (0.44) ALDH1A1IMPDH2KDM4EMAPTRXFP1
SCHEMBL15870936 0.79 MAPT (0.43) ALDH1A1IMPDH2KDM4EMAPTRXFP1
SCHEMBL23899066 0.78 GAA (0.53) ALDH1A1IMPDH2KDM4EMAPTMEN1
SCHEMBL31251323 0.78 GAA (0.53) ALDH1A1IMPDH2KDM4EMAPTMEN1
SCHEMBL29935620 0.77 ALDH1A1 (0.43) ALDH1A1IMPDH2MAPTMEN1LMNA
SCHEMBL29955958 0.77 ALDH1A1 (0.43) ALDH1A1IMPDH2MAPTMEN1LMNA
SCHEMBL6178842 0.77 ALDH1A1 (0.42) ALDH1A1IMPDH2KDM4EMAPTMEN1
SCHEMBL1253456 0.77 ALDH1A1 (0.43) ALDH1A1IMPDH2MAPTMEN1LMNA

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-11608347-B2 Octahydropyrido[1,2-alpha]pyrazines as MAGL inhibitors HOFFMANN-LA ROCHE INC. (US) 2023-03-21 US disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
EP-4076423-A1 TRPML MODULATORS Casma Therapeutics, Inc. (US) 2022-10-26 EP 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-11608347-B2 Octahydropyrido[1,2-alpha]pyrazines as MAGL inhibitors PYM1, MAG, MAGI3 ALDH1A1 556/4885IMPDH2 116/4885KDM4E 1901/4885

“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.