SCHEMBL19969446

SCHEMBL19969446

Cn1c(=O)c2c(nc(CCCCCCCCN3CCCC3c3cccnc3)n2C)n(C)c1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.44
ALDH1A1 P00352 7/20 0.43
CHRNA7 P36544 3/20 0.43
CHRNB2 P17787 3/20 0.43
CHRNA4 P43681 3/20 0.43
CHRNB4 P30926 2/20 0.43
CHRNA3 P32297 2/20 0.43
CHRNA2 Q15822 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
LMNA P02545 1/20 0.43
HTR3E A5X5Y0 1/20 0.43
PSIP1 O75475 1/20 0.43
TRPA1 O75762 1/20 0.43
HTR3B O95264 1/20 0.43
CHRNA1 P02708 1/20 0.43
CHRNG P07510 1/20 0.43
MAPT P10636 1/20 0.43
CHRNB1 P11230 1/20 0.43
CYP2A6 P11509 1/20 0.43
PTGS1 P23219 1/20 0.43

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
SCHEMBL19969126 1.00 ADORA2A (0.44) ADORA2AALDH1A1CHRNA7CHRNB2CHRNA4
SCHEMBL19969450 0.99 ADORA2A (0.44) ADORA2AALDH1A1CHRNA7CHRNB2CHRNA4
SCHEMBL19969385 0.83 HTR7 (0.50) ALDH1A1CHRNA7CHRNB2CHRNA4CHRNB4
SCHEMBL19969383 0.83 HTR7 (0.50) ALDH1A1CHRNA7CHRNB2CHRNA4CHRNB4
SCHEMBL19969377 0.82 ADORA2B (0.50) ALDH1A1CHRNA7CHRNB2CHRNA4CHRNB4
SCHEMBL19969303 0.78 LMNA (0.51) ALDH1A1CHRNA7CHRNB2CHRNA4CHRNB4
SCHEMBL5963595 0.74 ALDH1A1 (0.62) ALDH1A1CHRNA7CHRNB2CHRNA4CHRNB4
SCHEMBL19969123 0.73 ALDH1A1 (0.43) ADORA2AALDH1A1CHRNA7CHRNB2CHRNA4
SCHEMBL9676349 0.73 ALDH1A1 (0.57) ALDH1A1CHRNA7CHRNB2CHRNA4CHRNB4
SCHEMBL9676352 0.73 ALDH1A1 (0.57) ALDH1A1CHRNA7CHRNB2CHRNA4CHRNB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11634434-B2 Bifunctional alpha-synuclein binding agents and uses thereof UNIVERSITY OF SASKATCHEWAN (CA) 2023-04-25 US disclosed
US-20200062782-A1 BIFUNCTIONAL ALPHA-SYNUCLEIN BINDING AGENTS AND USES THEREOF UNIVERSITY OF SASKATCHEWAN (CA) 2020-02-27 US disclosed
WO-2018045464-A1 BIFUNCTIONAL ALPHA-SYNUCLEIN BINDING AGENTS AND USES THEREOF UNIVERSITY OF SASKATCHEWAN (CA) 2018-03-15 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-20200062782-A1 BIFUNCTIONAL ALPHA-SYNUCLEIN BINDING AGENTS AND USES THEREOF SNCA, PARK7, SYNJ2 ADORA2A 2007/4885ALDH1A1 2050/4885CHRNA7 579/4885
US-11634434-B2 Bifunctional alpha-synuclein binding agents and uses thereof SNCA, PARK7, SYNJ2 ADORA2A 2007/4885ALDH1A1 2050/4885CHRNA7 579/4885

“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.