SCHEMBL22777973

SCHEMBL22777973

Clc1ccc2ccc(C3CCC3)cc2n1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.49
HRH3 Q9Y5N1 4/20 0.37
KCNH2 Q12809 4/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
CYP2D6 P10635 1/20 0.36
HRH4 Q9H3N8 2/20 0.35
ABL1 P00519 2/20 0.35
ACMSD Q8TDX5 2/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
ESR2 Q92731 1/20 0.33

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
SCHEMBL3971869 0.83 BACE1 (0.71) BACE1HRH3KCNH2SLC6A2SLC6A4
SCHEMBL28862042 0.72 ACMSD (0.49) BACE1ABL1ACMSD
SCHEMBL20480449 0.71 BACE1 (0.51) BACE1CYP2D6
SCHEMBL31663369 0.70 ALDH1A1 (0.46) BACE1HRH3KCNH2HRH4ABL1
SCHEMBL22288192 0.70 ALDH1A1 (0.49) BACE1ABL1
SCHEMBL13739946 0.70 CCR1 (0.42) BACE1HRH3KCNH2HRH4ABL1
SCHEMBL20809297 0.70 DHODH (0.50) BACE1CYP2D6
SCHEMBL25833792 0.70 BACE1 (0.48) BACE1HRH3KCNH2SLC6A2SLC6A4
SCHEMBL16216909 0.70 BACE1 (0.34) BACE1KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL21354925 0.69 CHRNB2 (0.54) CHRNB2CHRNB4CHRNA3CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230092163-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-03-23 US disclosed
EP-3983383-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM Due, Inc. (US) 2022-04-20 EP disclosed
WO-2020252240-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2020-12-17 WO disclosed
WO-2020252240-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2020-12-17 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 (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-20230092163-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 BACE1 1304/4885HRH3 1729/4885KCNH2 2691/4885

“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.