SCHEMBL4820347

SCHEMBL4820347

CN(C(=O)OC(C)(C)C)N1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.39
CTSD P07339 1/20 0.35
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
CTSS P25774 1/20 0.35
USP2 O75604 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CTSK P43235 1/20 0.34
EPHX1 P07099 1/20 0.34
HSD11B1 P28845 1/20 0.33
PREP P48147 2/20 0.33
MKNK2 Q9HBH9 1/20 0.32
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 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
SCHEMBL1027506 0.98 HPGD (0.37) HPGDCTSDCTSLCTSBCTSS
SCHEMBL30802393 0.81 CTSD (0.33) HPGDCTSDCTSLCTSBCTSS
SCHEMBL27836672 0.79 HPGD (0.38) HPGDCTSDCTSLCTSBCTSS
SCHEMBL27664908 0.79 HPGD (0.38) HPGDCTSDCTSLCTSBCTSS
SCHEMBL30802326 0.79 CTSD (0.32) CTSDCTSLCTSBCTSSUSP2
SCHEMBL27652363 0.77 HPGD (0.36) HPGDCTSDCTSLCTSBCTSS
SCHEMBL1026720 0.77 PREP (0.35) CTSDCTSLCTSBCTSSUSP2
SCHEMBL27822459 0.77 HPGD (0.36) HPGDCTSDCTSLCTSBCTSS
SCHEMBL6039837 0.77 HPGD (0.36) HPGDCTSDCTSLCTSBCTSS
SCHEMBL19301715 0.76 HRH3 (0.35) HPGDCTSDCTSLCTSBCTSS

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115340523-A Compound with ALK inhibitory activity and preparation method and application thereof 盛世泰科生物医药技术(苏州)有限公司 2022-11-15 CN disclosed
US-20080090798-A1 Heterocyclic Substituted Aminoazacycles Useful as Central Nervous System Agents ABBOTT LABORATORIES (US) 2008-04-17 US disclosed
US-7332504-B2 Heterocyclic substituted aminoazacycles useful as central nervous system agents ABBOTT LABORATORIES (US) 2008-02-19 US disclosed
US-20050043291-A1 Heterocyclic substituted aminoazacycles useful as central nervous system agents ABBVIE INC. 2005-02-24 US disclosed
US-6833370-B1 Selectively controlling neurotransmitter release; such as n-((3)-1-(6-chloro-3-pyridinyl)pyrrolidinyl)-n-methylamine ABBOTT LABORATORIES 2004-12-21 US disclosed
EP-1428824-A1 Heterocyclic substituted aminoazacycles useful as central nervous system agents ABBOTT LABORATORIES (US) 2004-06-16 EP 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-20080090798-A1 Heterocyclic Substituted Aminoazacycles Useful as Central Nervous System Agents GRIN3A, GAP43, GRIN3B HPGD 1516/4885CTSD 4634/4885CTSL 4813/4885
US-20050043291-A1 Heterocyclic substituted aminoazacycles useful as central nervous system agents GRIN3A, GAP43, GRIN3B HPGD 1516/4885CTSD 4634/4885CTSL 4813/4885

“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.