SCHEMBL21020197

SCHEMBL21020197

CCOc1cccc2c1CN(C[C@H](C)NC(=O)CNO)CCC2

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACACB O00763 3/20 0.44
PRMT5 O14744 8/20 0.44
WDR77 Q9BQA1 5/20 0.44
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
HRH3 Q9Y5N1 1/20 0.41
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GAA P10253 1/20 0.38
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL21021808 0.97 ACACB (0.46) ACACBPRMT5WDR77KMT2AMEN1
SCHEMBL21021406 0.90 HDAC1 (0.44) ACACBPRMT5WDR77
SCHEMBL21020176 0.87 HDAC1 (0.46) ACACBPRMT5WDR77
SCHEMBL21020174 0.84 MAPT (0.38) PRMT5WDR77KMT2AMEN1L3MBTL1
SCHEMBL21020840 0.82 MEN1 (0.37) ACACBPRMT5WDR77KMT2AMEN1
SCHEMBL21020889 0.82 MEN1 (0.39) PRMT5WDR77KMT2AMEN1L3MBTL1
SCHEMBL21020899 0.82 PSMB5 (0.40) PRMT5WDR77KMT2AMEN1ATM
SCHEMBL21020216 0.81 DRD2 (0.39) PRMT5KMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL21020223 0.81 ACACB (0.37) ACACBPRMT5KMT2AMEN1L3MBTL1
SCHEMBL21020893 0.80 CARM1 (0.34) PRMT5WDR77KMT2AMEN1HRH3

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-20190152920-A1 COMPOUNDS FOR CENTRAL REACTIVATION OF ORGANOPHOSPHORUS- BASED COMPOUND-INHIBITED ACETYLCHOLINESTERASE AND/OR INACTIVATION OF ORGANOPHOSPHORUS-BASED ACETYLCHOLINESTERASE INHIBITORS AND RELATED COMPOSITIONS METHODS AND SYSTEMS FOR MAKING AND USING THEM U.S. DEPARTMENT OF ENERGY 2019-05-23 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-20190152920-A1 COMPOUNDS FOR CENTRAL REACTIVATION OF ORGANOPHOSPHORUS- BASED COMPOUND-INHIBITED ACETYLCHOLINESTERASE AND/OR INACTIVATION OF ORGANOPHOSPHORUS-BASED ACETYLCHOLINESTERASE INHIBITORS AND RELATED COMPOSITIONS METHODS AND SYSTEMS FOR MAKING AND USING THEM ACHE, BCHE, CHAT ACACB 178/4885PRMT5 407/4885WDR77 3141/4885

“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.