SCHEMBL4828093

SCHEMBL4828093

Cc1cc(N2CCCC2NC(=O)O)cnc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 9/20 0.45
CHRNA4 P43681 9/20 0.45
CHRNB4 P30926 8/20 0.44
CHRNA3 P32297 8/20 0.44
KMT2A Q03164 4/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
ALOX15 P16050 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CHRM1 P11229 1/20 0.36
FFAR1 O14842 1/20 0.34
PIK3CD O00329 2/20 0.34
PIK3CA P42336 2/20 0.34
POLB P06746 1/20 0.34
MEN1 O00255 1/20 0.34
JAK3 P52333 1/20 0.34

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
SCHEMBL4827451 0.89 CHRNB2 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3KMT2A
SCHEMBL4823925 0.86 NR3C2 (0.35) KMT2AALDH1A1KDM4EUSP2ALOX15
SCHEMBL4820625 0.86 CHRNB2 (0.47) CHRNB2CHRNA4CHRNB4CHRNA3KMT2A
SCHEMBL905211 0.84 CHRNB2 (0.47) CHRNB2CHRNA4CHRNB4CHRNA3CHRM1
Hydrochloric Acid SCHEMBL4819970 0.83 CHRNB2 (0.46) CHRNB2CHRNA4CHRNB4CHRNA3CHRM1
SCHEMBL4828953 0.81 CHRNB2 (0.46) CHRNB2CHRNA4CHRNB4CHRNA3ALDH1A1
Hydrochloric Acid SCHEMBL5103132 0.80 CHRNB2 (0.45) CHRNB2CHRNA4CHRNB4CHRNA3ALDH1A1
SCHEMBL4827780 0.80 CHRNB2 (0.43) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL4821492 0.80 CHRNB2 (0.45) CHRNB2CHRNA4CHRNB4CHRNA3ALDH1A1
SCHEMBL4827595 0.78 CHRNB2 (0.44) CHRNB2CHRNA4CHRNB4CHRNA3KMT2A

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.