SCHEMBL21020899

SCHEMBL21020899

Cc1cccc2c1CN(C[C@H](C)NC(=O)CNO)CCCC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 1/20 0.40
PRMT5 O14744 2/20 0.39
DRD2 P14416 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ALDH1A1 P00352 3/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 3/20 0.37
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
POLB P06746 2/20 0.37
CARM1 Q86X55 3/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
HPGD P15428 1/20 0.35
ATM Q13315 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
WDR77 Q9BQA1 1/20 0.35

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
SCHEMBL21020216 0.89 DRD2 (0.39) PSMB5PRMT5DRD2MEN1KMT2A
SCHEMBL21021803 0.88 PSMB5 (0.34) PSMB5PRMT5MEN1KMT2AMAPT
SCHEMBL21020767 0.88 NPC1 (0.36) MEN1KMT2AALDH1A1NPC1LMNA
SCHEMBL21020176 0.87 HDAC1 (0.46) PRMT5DRD2MAPTLMNAHDAC1
SCHEMBL21020222 0.85 POLB (0.38) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL21020174 0.85 MAPT (0.38) PSMB5PRMT5MEN1KMT2AMAPT
SCHEMBL21021808 0.85 ACACB (0.46) PRMT5MEN1KMT2AMAPTL3MBTL1
SCHEMBL21020893 0.85 CARM1 (0.34) PSMB5PRMT5MEN1KMT2AMAPT
SCHEMBL21020909 0.84 CARM1 (0.40) PSMB5PRMT5MEN1KMT2AMAPT
SCHEMBL21020903 0.84 PRMT5 (0.40) PSMB5PRMT5MEN1KMT2AMAPT

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 PSMB5 1852/4885PRMT5 407/4885DRD2 3520/4885
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 PSMB5 1852/4885PRMT5 407/4885DRD2 3520/4885

“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.