SCHEMBL6408641

SCHEMBL6408641

[CH2]CCC(CCCN1CCOCC1)N1CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HPGD P15428 1/20 0.38
DUSP3 P51452 1/20 0.38
SIGMAR1 Q99720 2/20 0.37
POLB P06746 2/20 0.37
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
GAA P10253 1/20 0.34
CYP1A2 P05177 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
HTR2A P28223 1/20 0.34
MAPK1 P28482 1/20 0.34
SCN1A P35498 1/20 0.34
HTR2B P41595 1/20 0.34
KCNH2 Q12809 1/20 0.34
SCN2A Q99250 1/20 0.34
SCN3A Q9NY46 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34

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
SCHEMBL28884650 0.88 KEAP1 (0.46) KEAP1SMN1; SMN2HPGDDUSP3SIGMAR1
SCHEMBL619185 0.78 KEAP1 (0.40) KEAP1SMN1; SMN2HPGDDUSP3SIGMAR1
SCHEMBL646006 0.77 KEAP1 (0.39) KEAP1SMN1; SMN2HPGDDUSP3SIGMAR1
SCHEMBL4526655 0.77 KEAP1 (0.48) KEAP1SMN1; SMN2HPGDDUSP3SIGMAR1
SCHEMBL231271 0.75 KEAP1 (0.60) KEAP1SMN1; SMN2HPGDDUSP3SIGMAR1
SCHEMBL17092603 0.74 KMT2A (0.35) HPGDALDH1A1RAB9ALMNA
SCHEMBL232859 0.73 KEAP1 (0.58) KEAP1SMN1; SMN2HPGDDUSP3SIGMAR1
SCHEMBL5241352 0.72 ALDH1A1 (0.38) SMN1; SMN2ALDH1A1KDM4EHRH3LMNA
SCHEMBL233216 0.71 KEAP1 (0.56) KEAP1SMN1; SMN2HPGDDUSP3SIGMAR1
SCHEMBL10889066 0.71 KEAP1 (0.56) KEAP1SMN1; SMN2HPGDDUSP3SIGMAR1

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-20050014773-A1 Therapeutic use ASTRAZENACA AB (SE) 2005-01-20 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-20050014773-A1 Therapeutic use CD4, HLA-DRB1, CD74 KEAP1 3355/4885SMN1; SMN2 2546/4885HPGD 1735/4885

“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.