SCHEMBL4827601

SCHEMBL4827601

CN(C(=O)O)C1CCCN1c1cnc(Cl)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 11/20 0.41
CHRNA4 P43681 11/20 0.41
CHRNB4 P30926 8/20 0.39
CHRNA3 P32297 8/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 2/20 0.34
JAK3 P52333 1/20 0.33
FFAR1 O14842 3/20 0.33
PPARG P37231 1/20 0.33
AVPR2 P30518 1/20 0.32
PROKR1 Q8TCW9 1/20 0.32
HTT P42858 1/20 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
SCHEMBL4827595 0.89 CHRNB2 (0.44) CHRNB2CHRNA4CHRNB4CHRNA3MEN1
SCHEMBL4826109 0.86 CHRNB2 (0.47) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL4824757 0.86 CHRNB2 (0.43) CHRNB2CHRNA4CHRNB4CHRNA3MEN1
SCHEMBL4821531 0.81 CHRNB2 (0.41) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL4827702 0.81 NTRK1 (0.34) ALDH1A1FFAR1PROKR1
SCHEMBL4827616 0.78 CHRNB2 (0.41) CHRNB2CHRNA4CHRNB4CHRNA3ALDH1A1
SCHEMBL4827451 0.75 CHRNB2 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3MEN1
SCHEMBL2434783 0.72 CHRNB2 (0.47) CHRNB2CHRNA4CHRNB4CHRNA3MEN1
SCHEMBL905234 0.71 CHRNB2 (0.44) CHRNB2CHRNA4CHRNB4CHRNA3MEN1
Hydrochloric Acid SCHEMBL4825482 0.71 CHRNB2 (0.46) CHRNB2CHRNA4CHRNB4CHRNA3MEN1

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 CHRNB2 31/4885CHRNA4 19/4885CHRNB4 38/4885
US-20050043291-A1 Heterocyclic substituted aminoazacycles useful as central nervous system agents GRIN3A, GAP43, GRIN3B CHRNB2 31/4885CHRNA4 19/4885CHRNB4 38/4885

“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.