SCHEMBL21020832

SCHEMBL21020832

C[C@@H](CN1CCCc2ccccc2C1)NC(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 1/20 0.51
DRD2 P14416 4/20 0.50
PRMT5 O14744 8/20 0.48
WDR77 Q9BQA1 8/20 0.48
POLB P06746 1/20 0.47
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
CTSK P43235 2/20 0.45
HDAC4 P56524 1/20 0.44
RIPK1 Q13546 2/20 0.44

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
SCHEMBL27478669 1.00 CARM1 (0.51) CARM1DRD2PRMT5WDR77POLB
SCHEMBL27478660 1.00 CARM1 (0.51) CARM1DRD2PRMT5WDR77POLB
SCHEMBL29758953 0.93 DRD2 (0.57) CARM1DRD2PRMT5WDR77POLB
SCHEMBL18215162 0.93 DRD2 (0.57) CARM1DRD2PRMT5WDR77POLB
SCHEMBL28670702 0.93 DRD2 (0.57) CARM1DRD2PRMT5WDR77POLB
SCHEMBL29758947 0.89 PRMT5 (0.51) CARM1DRD2PRMT5WDR77POLB
SCHEMBL28928597 0.89 PRMT5 (0.51) CARM1DRD2PRMT5WDR77POLB
SCHEMBL18212444 0.89 PRMT5 (0.51) CARM1DRD2PRMT5WDR77POLB
SCHEMBL21020862 0.87 DRD2 (0.52) CARM1DRD2PRMT5WDR77POLB
SCHEMBL12635649 0.84 KLK5 (0.55) CARM1DRD2PRMT5WDR77POLB

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 626/4885DRD2 3520/4885PRMT5 407/4885
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 626/4885DRD2 3520/4885PRMT5 407/4885

“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.