SCHEMBL16504255

SCHEMBL16504255

NCCNCCN(CCO)CCN1CCNCC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.46
HSD17B10 Q99714 1/20 0.36
ANPEP P15144 1/20 0.36
ERAP2 Q6P179 1/20 0.36
CXCR4 P61073 2/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
RAD52 P43351 1/20 0.32
SIGMAR1 Q99720 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
POLB P06746 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL15657166 0.90 ACE2 (0.50) ACE2HSD17B10ANPEPERAP2CXCR4
SCHEMBL16504257 0.88 ACE2 (0.52) ACE2CYP2C9CYP2C19SIGMAR1MEN1
SCHEMBL14980600 0.86 ACE2 (0.63) ACE2CYP2C9CYP2C19SIGMAR1MEN1
SCHEMBL16948256 0.85 KDM4E (0.39) ACE2SMN1; SMN2
SCHEMBL2478304 0.85 ACE2 (0.47) ACE2HSD17B10ANPEPERAP2CXCR4
SCHEMBL19071652 0.84 ACE2 (0.47) ACE2HSD17B10ANPEPERAP2CXCR4
SCHEMBL29860788 0.84 ACE2 (0.50) ACE2HSD17B10ANPEPERAP2CXCR4
SCHEMBL2478837 0.84 ACE2 (0.59) ACE2HSD17B10ANPEPERAP2CXCR4
SCHEMBL13187935 0.83 POLB (0.41) HSD17B10ANPEPERAP2CXCR4RAD52
SCHEMBL27077595 0.83 POLB (0.41) HSD17B10ANPEPERAP2CXCR4RAD52

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8969353-B2 Aminoalcohol lipidoids and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-03-03 US disclosed
US-20110293703-A1 AMINOALCOHOL LIPIDOIDS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2011-12-01 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-20110293703-A1 AMINOALCOHOL LIPIDOIDS AND USES THEREOF PHOSPHO1, PNMT, AASDHPPT ACE2 1076/4885HSD17B10 953/4885ANPEP 176/4885

“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.