SCHEMBL29458059

SCHEMBL29458059

c1ccc2c3c([nH]c2c1)C1CCCCCN1CC3

nearest known ligand 0.97

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.64
ADRA1A P35348 3/20 0.62
ADRA1D P25100 2/20 0.62
ADRA1B P35368 2/20 0.62
RB1 P06400 2/20 0.50
BRD3 Q15059 1/20 0.50
ADRA2A P08913 1/20 0.48
CYP2D6 P10635 2/20 0.48
ADRA2C P18825 1/20 0.48
TOP1 P11387 1/20 0.48
HSD17B10 Q99714 1/20 0.48

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
SCHEMBL3859034 1.00 CHRNA7 (0.64) CHRNA7ADRA1AADRA1DADRA1BRB1
Desbromoarborescidine A SCHEMBL5269957 0.99 CHRNA7 (0.66) CHRNA7ADRA1AADRA1DADRA1BRB1
Desbromoarborescidine A SCHEMBL30363173 0.99 CHRNA7 (0.66) CHRNA7ADRA1AADRA1DADRA1BRB1
Desbromoarborescidine A SCHEMBL29002756 0.99 CHRNA7 (0.66) CHRNA7ADRA1AADRA1DADRA1BRB1
Desbromoarborescidine A SCHEMBL31662855 0.99 CHRNA7 (0.66) CHRNA7ADRA1AADRA1DADRA1BRB1
SCHEMBL30363084 0.94 CHRNA7 (0.67) CHRNA7ADRA1AADRA1DADRA1BBRD3
SCHEMBL2887057 0.94 CHRNA7 (0.67) CHRNA7ADRA1AADRA1DADRA1BBRD3
SCHEMBL30363160 0.94 CHRNA7 (0.67) CHRNA7ADRA1AADRA1DADRA1BBRD3
Desbromoarborescidine A SCHEMBL30621266 0.91 CHRNA7 (0.58) CHRNA7ADRA1AADRA1DADRA1BRB1
SCHEMBL24240060 0.81 CHRNA7 (0.61) CHRNA7ADRA1AADRA1DADRA1BADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220218695-A1 COMBINATION OF AN ALPHA2-ADRENOCEPTOR SUBTYPE C (ALPHA-2C) ANTAGONISTS WITH A TASK1/3 CHANNEL BLOCKER FOR THE TREATMENT OF SLEEP APNEA BAYER AKTIENGESELLSCHAFT (DE) 2022-07-14 US disclosed
EP-3965762-A1 COMBINATION OF AN ?2-ADRENOCEPTOR SUBTYPE C (ALPHA-2C) ANTAGONISTS WITH A TASK1/3 CHANNEL BLOCKER FOR THE TREATMENT OF SLEEP APNEA Bayer Aktiengesellschaft (DE) 2022-03-16 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 (1 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-20220218695-A1 COMBINATION OF AN ALPHA2-ADRENOCEPTOR SUBTYPE C (ALPHA-2C) ANTAGONISTS WITH A TASK1/3 CHANNEL BLOCKER FOR THE TREATMENT OF SLEEP APNEA ADRA2C, ADRB2, CHRNA1 CHRNA7 18/4885ADRA1A 12/4885ADRA1D 5/4885

“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.