SCHEMBL21020862

SCHEMBL21020862

C[C@@H](CN1CCc2ccccc2CC1)NC(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.52
PRMT5 O14744 6/20 0.47
WDR77 Q9BQA1 6/20 0.47
CTSK P43235 2/20 0.46
CARM1 Q86X55 1/20 0.46
POLB P06746 1/20 0.46
LIPE Q05469 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
MAPT P10636 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
HDAC4 P56524 1/20 0.43
SCN9A Q15858 1/20 0.43

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
SCHEMBL29758953 0.94 DRD2 (0.57) DRD2PRMT5WDR77CTSKCARM1
SCHEMBL18215162 0.94 DRD2 (0.57) DRD2PRMT5WDR77CTSKCARM1
SCHEMBL28670702 0.94 DRD2 (0.57) DRD2PRMT5WDR77CTSKCARM1
SCHEMBL21020832 0.87 CARM1 (0.51) DRD2PRMT5WDR77CTSKCARM1
SCHEMBL27478669 0.87 CARM1 (0.51) DRD2PRMT5WDR77CTSKCARM1
SCHEMBL27478660 0.87 CARM1 (0.51) DRD2PRMT5WDR77CTSKCARM1
SCHEMBL28928597 0.87 PRMT5 (0.51) DRD2PRMT5WDR77CTSKCARM1
SCHEMBL29758947 0.87 PRMT5 (0.51) DRD2PRMT5WDR77CTSKCARM1
SCHEMBL18212444 0.87 PRMT5 (0.51) DRD2PRMT5WDR77CTSKCARM1
SCHEMBL4773114 0.81 CA1 (0.46) CTSKPOLBCTSLCTSBMAPT

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 DRD2 3520/4885PRMT5 407/4885WDR77 3141/4885
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 DRD2 3520/4885PRMT5 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.