SCHEMBL25140283

SCHEMBL25140283

COCCN(C)CCOCCN

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.45
CHRM2 P08172 1/20 0.36
ALDH1A1 P00352 1/20 0.32
SCN9A Q15858 1/20 0.30
SLC6A4 P31645 1/20 0.30
TLR8 Q9NR97 1/20 0.30
TLR7 Q9NYK1 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
SCHEMBL12831060 0.91 CHRM2 (0.42) PIK3CDCHRM2ALDH1A1SLC6A4
SCHEMBL22199516 0.88 CHRM2 (0.40) PIK3CDCHRM2ALDH1A1SLC6A4
SCHEMBL22735861 0.84 CHRM2 (0.37) CHRM2SLC6A4
SCHEMBL769212 0.84 CA12 (0.39) CHRM2SLC6A4TLR7
SCHEMBL1255458 0.83
SCHEMBL22503168 0.83 PIK3CD (0.50) PIK3CDALDH1A1SCN9ASLC6A4
SCHEMBL23101786 0.83 PIK3CD (0.50) PIK3CDALDH1A1SCN9ASLC6A4
SCHEMBL25477639 0.82 CA12 (0.50) CHRM2SLC6A4
SCHEMBL25478263 0.81 PIK3CD (0.48) PIK3CDCHRM2ALDH1A1SLC6A4TLR7
SCHEMBL22735860 0.80 CHRM2 (0.42) PIK3CDCHRM2ALDH1A1SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230121233-A1 Heteroaryl compounds as inhibitors of programmed necrosis pathway, composition and method using the same ACCRO BIOSCIENCE (HK) LIMITED (HK) 2023-04-20 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 (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-20230121233-A1 Heteroaryl compounds as inhibitors of programmed necrosis pathway, composition and method using the same BAX, PDCD1, PDCD4 PIK3CD 382/4885CHRM2 4665/4885ALDH1A1 3695/4885

“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.