SCHEMBL25587778

SCHEMBL25587778

CCC(=O)OCCN(CCOC(=O)CC)CCN(CCOC(=O)CC)CCOC(=O)CC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.50
DNM1 Q05193 1/20 0.46
CHRM2 P08172 2/20 0.41
CHRM4 P08173 2/20 0.41
CHRM5 P08912 2/20 0.41
CHRM1 P11229 2/20 0.41
CHRM3 P20309 2/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
GAA P10253 1/20 0.39
CYP1A2 P05177 3/20 0.37
CYP2D6 P10635 2/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 1/20 0.37
TSHR P16473 1/20 0.37
MAOA P21397 1/20 0.37
HTR3A P46098 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
ALDH1A1 P00352 3/20 0.36
CYP2C19 P33261 3/20 0.36

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
SCHEMBL64491 0.98 NAAA (0.52) NAAADNM1CHRM2CHRM4CHRM5
SCHEMBL22354444 0.92 NAAA (0.44) NAAADNM1CHRM2CHRM4CHRM5
SCHEMBL11861419 0.91 NAAA (0.52) NAAADNM1CHRM2CHRM4CHRM5
Bromide SCHEMBL10618363 0.89 NAAA (0.50) NAAADNM1CHRM2CHRM4CHRM5
SCHEMBL11856688 0.88 NAAA (0.48) NAAADNM1CHRM2CHRM4CHRM5
SCHEMBL19730906 0.87 NAAA (0.59) NAAADNM1CHRM2GAACYP1A2
SCHEMBL18607706 0.87 NAAA (0.44) NAAADNM1CHRM2CHRM4CHRM5
SCHEMBL27382601 0.86 NAAA (0.42) NAAADNM1CHRM2CHRM4CHRM5
SCHEMBL23008636 0.84 NAAA (0.41) NAAADNM1CHRM2CHRM4CHRM5
SCHEMBL14182342 0.84 DNM1 (0.46) NAAADNM1GAACYP1A2LMNA

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-20230159581-A1 NOVEL ANTI-INFECTIVE AND ANTI-INFLAMMATORY COMPOUNDS SYNOVO GMBH (DE) 2023-05-25 US disclosed
US-20230131943-A1 ANTI-INFECTIVE AND ANTI-VIRAL COMPOUNDS AND COMPOSITIONS BURNET MICHEAL W (DE) 2023-04-27 US disclosed
US-20230131943-A1 ANTI-INFECTIVE AND ANTI-VIRAL COMPOUNDS AND COMPOSITIONS BURNET MICHEAL W (DE) 2023-04-27 US 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-20230131943-A1 ANTI-INFECTIVE AND ANTI-VIRAL COMPOUNDS AND COMPOSITIONS CTSA, GAA, SLC7A5 NAAA 323/4885DNM1 947/4885CHRM2 4401/4885
US-20230159581-A1 NOVEL ANTI-INFECTIVE AND ANTI-INFLAMMATORY COMPOUNDS CTSA, ALOX15, ALOX5 NAAA 110/4885DNM1 1164/4885CHRM2 4764/4885

“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.