SCHEMBL4827702

SCHEMBL4827702

Cc1cc(N2CCCC2N(C)C(=O)O)cnc1F

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 7/20 0.34
FFAR1 O14842 2/20 0.34
JAK2 O60674 3/20 0.33
LRRK2 Q5S007 1/20 0.33
MAPK1 P28482 1/20 0.33
MAPT P10636 1/20 0.33
TACR1 P25103 1/20 0.33
TACR3 P29371 1/20 0.33
SCN9A Q15858 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
KDM4E B2RXH2 3/20 0.31
TSHR P16473 2/20 0.31
HSD17B10 Q99714 2/20 0.31
ALDH1A1 P00352 1/20 0.31
PROKR1 Q8TCW9 1/20 0.31
GAA P10253 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 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
SCHEMBL4827595 0.87 CHRNB2 (0.44) FFAR1MAPTPROKR1
SCHEMBL4824757 0.83 CHRNB2 (0.43) ALDH1A1
SCHEMBL4827601 0.81 CHRNB2 (0.41) FFAR1ALDH1A1PROKR1
SCHEMBL4823925 0.78 NR3C2 (0.35) NTRK1FFAR1JAK2LRRK2MAPK1
SCHEMBL4826109 0.77 CHRNB2 (0.47) NTRK1SCN9ASMN1; SMN2KDM4E
SCHEMBL4821531 0.77 CHRNB2 (0.41)
SCHEMBL905229 0.73 LRRK2 (0.37) JAK2LRRK2
SCHEMBL4827616 0.73 CHRNB2 (0.41) ALDH1A1
Hydrochloric Acid SCHEMBL4825446 0.72 LRRK2 (0.36) JAK2LRRK2
SCHEMBL905235 0.71 LRRK2 (0.36) LRRK2

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
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

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 NTRK1 622/4885FFAR1 2773/4885JAK2 1747/4885
US-20050043291-A1 Heterocyclic substituted aminoazacycles useful as central nervous system agents GRIN3A, GAP43, GRIN3B NTRK1 622/4885FFAR1 2773/4885JAK2 1747/4885

“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.