SCHEMBL22777920

SCHEMBL22777920

CNC(=O)OCCc1cc(N)cc2[nH]ccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.37
TOP2B Q02880 1/20 0.37
NMBR P28336 5/20 0.34
NPC1 O15118 1/20 0.33
MTNR1A P48039 2/20 0.32
MTNR1B P49286 2/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CYP2D6 P10635 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRNB2 P17787 1/20 0.32
NFKB1 P19838 1/20 0.32
CHRM3 P20309 1/20 0.32
MAPK1 P28482 1/20 0.32
CHRNA7 P36544 1/20 0.32
CHRNA4 P43681 1/20 0.32
MAPT P10636 2/20 0.32
APP P05067 1/20 0.32
LMNA P02545 2/20 0.32

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
SCHEMBL22778079 0.81 PKM (0.39) NPC1MAPTMEN1KMT2A
SCHEMBL29714414 0.78 HTR2A (0.36) NPC1NFKB1MAPK1MAPTMEN1
SCHEMBL22777982 0.78 HTR2A (0.36) NPC1NFKB1MAPK1MAPTMEN1
SCHEMBL22803300 0.74 ESR1 (0.43) CYP2D6MAPTMEN1KMT2A
SCHEMBL19329521 0.73 HTR6 (0.35) ALDH1A1
SCHEMBL28872495 0.72 GPR84 (0.55) NMBRNPC1MTNR1AMTNR1B
SCHEMBL28872474 0.72 GPR84 (0.55) NPC1MTNR1AMTNR1B
SCHEMBL28872567 0.71 NMBR (0.60) NMBRCYP2D6MAPK1MAPTLMNA
SCHEMBL22778106 0.71 DUT (0.32)
SCHEMBL29714429 0.71 DUT (0.32)

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 TOP2A 162/4885TOP2B 301/4885NMBR 2838/4885

“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.