SCHEMBL4823925

SCHEMBL4823925

Cc1cc(N2CCCC2NC(=O)O)cnc1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 1/20 0.35
FFAR1 O14842 2/20 0.35
KDM4E B2RXH2 4/20 0.34
TSHR P16473 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MAPK1 P28482 1/20 0.34
LRRK2 Q5S007 1/20 0.34
JAK2 O60674 3/20 0.33
JAK1 P23458 1/20 0.33
HSD17B10 Q99714 4/20 0.32
NTRK1 P04629 3/20 0.32
ALDH1A1 P00352 2/20 0.32
USP2 O75604 1/20 0.32
ALOX15 P16050 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
KMT2A Q03164 1/20 0.32
SCN9A Q15858 2/20 0.32

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
SCHEMBL4828093 0.86 CHRNB2 (0.45) FFAR1KDM4ESMN1; SMN2HSD17B10ALDH1A1
SCHEMBL905235 0.84 LRRK2 (0.36) NR3C2LRRK2JAK1KMT2A
Hydrochloric Acid SCHEMBL4821225 0.83 LRRK2 (0.35) NR3C2LRRK2
SCHEMBL4827451 0.80 CHRNB2 (0.42) FFAR1KDM4ESMN1; SMN2HSD17B10ALDH1A1
SCHEMBL4827702 0.78 NTRK1 (0.34) FFAR1KDM4ETSHRSMN1; SMN2NPC1
SCHEMBL4820625 0.77 CHRNB2 (0.47) KDM4ESMN1; SMN2ALDH1A1KMT2ASCN9A
SCHEMBL4827780 0.75 CHRNB2 (0.43)
SCHEMBL905229 0.75 LRRK2 (0.37) LRRK2JAK2JAK1
SCHEMBL4826793 0.75 RIPK2 (0.41) SCN9A
Hydrochloric Acid SCHEMBL4825446 0.74 LRRK2 (0.36) LRRK2JAK2JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-1178982-B1 HETEROCYCLIC SUBSTITUTED AMINOAZACYCLES USEFUL AS CENTRAL NERVOUS SYSTEM AGENTS ABBOTT LAB (US) 2004-06-30 EP disclosed
EP-1428824-A1 Heterocyclic substituted aminoazacycles useful as central nervous system agents ABBOTT LABORATORIES (US) 2004-06-16 EP disclosed
EP-1178982-A1 HETEROCYCLIC SUBSTITUTED AMINOAZACYCLES USEFUL AS CENTRAL NERVOUS SYSTEM AGENTS ABBOTT LABORATORIES (US) 2002-02-13 EP disclosed
WO-2000071534-A1 HETEROCYCLIC SUBSTITUTED AMINOAZACYCLES USEFUL AS CENTRAL NERVOUS SYSTEM AGENTS ABBOTT LABORATORIES (US) 2000-11-30 WO 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 NR3C2 899/4885FFAR1 2773/4885KDM4E 3885/4885
US-20050043291-A1 Heterocyclic substituted aminoazacycles useful as central nervous system agents GRIN3A, GAP43, GRIN3B NR3C2 899/4885FFAR1 2773/4885KDM4E 3885/4885

“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.