SCHEMBL21095609

SCHEMBL21095609

CC(=O)CCC(=O)O[C@H](CO)CN(C)C

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
MAPK1 P28482 1/20 0.43
PRKCA P17252 6/20 0.38
PRKCE Q02156 2/20 0.38
PRKCQ Q04759 2/20 0.38
PRKCD Q05655 2/20 0.38
ALDH1A1 P00352 2/20 0.36
FAAH O00519 1/20 0.36
HPGD P15428 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
CYP2D6 P10635 3/20 0.33
HTR2A P28223 3/20 0.33
CHRM1 P11229 1/20 0.32
LMNA P02545 1/20 0.31
SLC15A2 Q16348 1/20 0.31

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
SCHEMBL19912587 1.00 MAPT (0.43) MAPTMAPK1PRKCAPRKCEPRKCQ
SCHEMBL23693964 0.86 PHF8 (0.46) MAPTMAPK1PRKCAPRKCEPRKCQ
SCHEMBL23694892 0.86 PHF8 (0.46) MAPTMAPK1PRKCAPRKCEPRKCQ
SCHEMBL23694900 0.86 PHF8 (0.46) MAPTMAPK1PRKCAPRKCEPRKCQ
SCHEMBL402501 0.85 MAPT (0.57) MAPTMAPK1PRKCAPRKCEPRKCQ
SCHEMBL406117 0.76 PRKCA (0.63) PRKCAPRKCEPRKCQPRKCDALDH1A1
SCHEMBL13901278 0.73 MAPT (0.61) MAPTMAPK1PRKCAPRKCEPRKCQ
SCHEMBL25475240 0.73 ACE (0.38) MAPTMAPK1PRKCAPRKCEPRKCQ
SCHEMBL11272747 0.73 MGAM (0.44)
SCHEMBL16020408 0.72 ALDH1A1 (0.46) MAPTMAPK1PRKCAPRKCEPRKCQ

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-20210228508-A1 COMPOSITIONS AND METHODS THEREOF Exciva GmbH 2021-07-29 US disclosed
US-20190183885-A1 COMPOSITIONS AND METHODS THEREOF EXCIVA (UG) (haftungsbeschränkt) (DE) 2019-06-20 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-20210228508-A1 COMPOSITIONS AND METHODS THEREOF CYP21A2, CYP2C19, CYP2F1 MAPT 3747/4885MAPK1 2202/4885PRKCA 4150/4885
US-20190183885-A1 COMPOSITIONS AND METHODS THEREOF CYP21A2, CYP11B2, CYP2D6 MAPT 4313/4885MAPK1 2965/4885PRKCA 4541/4885

“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.