SCHEMBL22800232

SCHEMBL22800232

O=C1N[C@H](C(=O)O)C/C=C/CCCCCCCc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MME P08473 10/20 0.45
ACE P12821 5/20 0.45
CYP2A6 P11509 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
MAPT P10636 2/20 0.38
TSHR P16473 1/20 0.38
GAA P10253 1/20 0.38
CTSL P07711 2/20 0.38
PDPK1 O15530 1/20 0.38
PARP1 P09874 1/20 0.38
PARP10 Q53GL7 1/20 0.38
PARP11 Q9NR21 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
F11 P03951 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL22799762 0.83 CYP1A2 (0.40) MMEACEMAPTTSHRSMN1; SMN2
SCHEMBL22800171 0.83 CYP1A2 (0.40) MMEACEMAPTTSHRSMN1; SMN2
SCHEMBL22799764 0.81 CYP2A6 (0.39) MMEACECYP2A6MAOAMAOB
SCHEMBL22772406 0.81 F11 (0.39) MMEACECYP2A6MAOAMAOB
SCHEMBL22772398 0.81 F11 (0.39) MMEACECYP2A6MAOAMAOB
SCHEMBL22772409 0.81 F11 (0.39) MMEACECYP2A6MAOAMAOB
SCHEMBL22772408 0.81 F11 (0.39) MMEACECYP2A6MAOAMAOB
SCHEMBL22800053 0.80 CYP2A6 (0.40) MMEACECYP2A6MAOAMAOB
SCHEMBL22800228 0.80 CYP2A6 (0.40) MMEACECYP2A6MAOAMAOB
SCHEMBL22799585 0.80 CYP2A6 (0.40) MMEACECYP2A6MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200392157-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF Knobbe, Martens, Olson & Bear, LLP 2020-12-17 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 (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-20200392157-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF CAPNS1, CAPN2, CAPN1 MME 1198/4885ACE 615/4885CYP2A6 4490/4885

“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.