SCHEMBL22777934

SCHEMBL22777934

Cc1cc(N)cnc1N1CC(O)C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
CHRM3 P20309 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
HRH1 P35367 2/20 0.33
HRH4 Q9H3N8 2/20 0.33
HRH3 Q9Y5N1 2/20 0.33
HRH2 P25021 1/20 0.32
ABL1 P00519 2/20 0.32
KCNJ5 P48544 1/20 0.31
KCNJ3 P48549 1/20 0.31
CTSK P43235 1/20 0.31
LRRK2 Q5S007 1/20 0.31
KHK P50053 1/20 0.30
FLT3 P36888 1/20 0.30
MEN1 O00255 1/20 0.30

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
SCHEMBL14436553 0.85 LRRK2 (0.45) OPRK1ABL1LRRK2KHKMEN1
SCHEMBL23623176 0.84 OPRK1 (0.43) OPRK1TRPV1IRAK4FLT3ALDH1A1
SCHEMBL29209035 0.81 PIK3CA (0.43) MEN1ALDH1A1GAAMAPTKMT2A
SCHEMBL22803863 0.81 CHRM3 (0.37) OPRK1TRPV1CHRM3PDE4APDE4B
SCHEMBL3400723 0.81 FLT3 (0.40) TRPV1FLT3KMT2A
SCHEMBL3400729 0.81 FLT3 (0.40) TRPV1FLT3KMT2A
SCHEMBL29208999 0.81 PIK3CA (0.43) MEN1ALDH1A1GAAMAPTKMT2A
SCHEMBL29209033 0.81 PIK3CA (0.43) MEN1ALDH1A1GAAMAPTKMT2A
SCHEMBL26499810 0.80 AVPR1A (0.33) OPRK1TRPV1FLT3
SCHEMBL17512512 0.80 JAK2 (0.36) OPRK1IRAK4HRH1HRH4HRH3

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 OPRK1 1827/4885TRPV1 701/4885CHRM3 2288/4885

“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.