Sugi Predict

Sugi Predict / Compounds / SCHEMBL21020893

SCHEMBL21020893

SCHEMBL21020893

Cc1ccc2c(c1C)CN(C[C@H](C)NC(=O)CNO)CCC2

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CARM1 Q86X55 2/20 0.34
▸ HDAC6 Q9UBN7 4/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ HRH3 Q9Y5N1 2/20 0.33
▸ PSMB5 P28074 1/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ PRMT5 O14744 2/20 0.32
▸ LMNA P02545 2/20 0.32
▸ CHRM2 P08172 1/20 0.32
▸ ADRA2B P18089 1/20 0.32
▸ DRD3 P35462 1/20 0.32
▸ SIGMAR1 Q99720 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ WDR77 Q9BQA1 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
SCHEMBL21021803 0.97 PSMB5 (0.34) CARM1HDAC6HRH3PSMB5MEN1
SCHEMBL21021402 0.93 MEN1 (0.38) CARM1MEN1KMT2AMAPTL3MBTL1
SCHEMBL21020767 0.85 NPC1 (0.36) HDAC6HDAC8HRH3MEN1KMT2A
SCHEMBL21020899 0.85 PSMB5 (0.40) CARM1HDAC6PSMB5MEN1KMT2A
SCHEMBL21020174 0.83 MAPT (0.38) CARM1HDAC6PSMB5MEN1KMT2A
SCHEMBL21021397 0.83 MEN1 (0.35) CARM1HDAC6MEN1KMT2AMAPT
SCHEMBL21020782 0.83 CARM1 (0.39) CARM1HDAC6HRH3MEN1KMT2A
SCHEMBL21020880 0.83 ACACB (0.38) HDAC1
SCHEMBL21021406 0.81 HDAC1 (0.44) HDAC6MAPTHDAC1PRMT5LMNA
SCHEMBL21020881 0.81 HDAC6 (0.38) CARM1HDAC6HRH3MEN1KMT2A

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-11186548-B2 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 LAWRENCE LIVERMORE NATIONAL SECURITY, LLC (US) 2021-11-30 — — US disclosed
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 (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-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 CARM1 626/4885HDAC6 1134/4885HDAC8 523/4885
US-11186548-B2 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 CARM1 626/4885HDAC6 1134/4885HDAC8 523/4885

“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.