SCHEMBL4820705

SCHEMBL4820705

CNC1CCCCN1c1cccnc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 2/20 0.45
CCND1 P24385 2/20 0.45
CHRNB2 P17787 12/20 0.44
CHRNA4 P43681 12/20 0.44
CHRNA7 P36544 2/20 0.44
CHRNB4 P30926 5/20 0.41
CHRNA3 P32297 5/20 0.41
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL4823725 0.99 CDK4 (0.44) CDK4CCND1CHRNB2CHRNA4CHRNA7
Hydrochloric Acid SCHEMBL4828796 0.99 CDK4 (0.44) CDK4CCND1CHRNB2CHRNA4CHRNA7
SCHEMBL2437933 0.95 CHRNB2 (0.43) CDK4CCND1CHRNB2CHRNA4CHRNA7
Hydrochloric Acid SCHEMBL4827687 0.94 CHRNB2 (0.43) CDK4CCND1CHRNB2CHRNA4CHRNA7
SCHEMBL6370491 0.85 CDK4 (0.43) CDK4CCND1MAPTHTTALDH1A1
SCHEMBL4825380 0.81 CDK4 (0.48) CDK4CCND1CHRNB2CHRNA4CHRNB4
SCHEMBL3449750 0.80 KDM4E (0.48) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL28570402 0.77 CDK4 (0.41) CDK4CCND1CHRNB2CHRNA4CHRNB4
SCHEMBL4825559 0.77 CHRNB2 (0.46) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL30241932 0.77 CHRNB2 (0.48) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050043291-A1 Heterocyclic substituted aminoazacycles useful as central nervous system agents ABBVIE INC. 2005-02-24 US claimed
EP-1428824-A1 Heterocyclic substituted aminoazacycles useful as central nervous system agents ABBOTT LABORATORIES (US) 2004-06-16 EP claimed
JP-2003500402-A 2003-01-07 JP claimed
EP-1178982-A1 HETEROCYCLIC SUBSTITUTED AMINOAZACYCLES USEFUL AS CENTRAL NERVOUS SYSTEM AGENTS ABBOTT LABORATORIES (US) 2002-02-13 EP claimed
WO-2000071534-A1 HETEROCYCLIC SUBSTITUTED AMINOAZACYCLES USEFUL AS CENTRAL NERVOUS SYSTEM AGENTS ABBOTT LABORATORIES (US) 2000-11-30 WO claimed
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 CDK4 2502/4885CCND1 1740/4885CHRNB2 31/4885
US-20050043291-A1 Heterocyclic substituted aminoazacycles useful as central nervous system agents GRIN3A, GAP43, GRIN3B CDK4 2502/4885CCND1 1740/4885CHRNB2 31/4885

“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.