SCHEMBL14980628

SCHEMBL14980628

CCNCCN1CCN(CCNCCN)CC1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.79
CYP2C19 P33261 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALOX15 P16050 2/20 0.42
GLA P06280 1/20 0.42
CA12 O43570 3/20 0.42
CA6 P23280 3/20 0.42
CA7 P43166 3/20 0.42
CA9 Q16790 3/20 0.42
CA14 Q9ULX7 3/20 0.42
CA5B Q9Y2D0 3/20 0.42
RECQL P46063 1/20 0.42
PRMT6 Q96LA8 1/20 0.41
CYP1A2 P05177 1/20 0.41
LMNA P02545 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
CA2 P00918 2/20 0.40
CA3 P07451 2/20 0.40
CA4 P22748 2/20 0.40

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
SCHEMBL16920253 0.98 ACE2 (0.76) ACE2CYP2C19MEN1KMT2AALOX15
SCHEMBL14980630 0.90 ACE2 (0.63) ACE2CYP2C19MEN1KMT2AALOX15
SCHEMBL12921297 0.89 ACE2 (1.00) ACE2CYP2C19MEN1KMT2AALOX15
SCHEMBL1690928 0.89
SCHEMBL8406064 0.88 ACE2 (0.79) ACE2CYP2C19MEN1KMT2AALOX15
SCHEMBL2570372 0.87 ACE2 (0.95) ACE2CYP2C19MEN1KMT2AALOX15
SCHEMBL19071988 0.87 ACE2 (0.56) ACE2CYP2C19MEN1KMT2AGLA
SCHEMBL4783223 0.87 ACE2 (0.54) ACE2CYP2C19MEN1KMT2AALOX15
SCHEMBL13008043 0.86 ACE2 (0.76) ACE2CYP2C19MEN1KMT2AALOX15
SCHEMBL22416388 0.85 ACE2 (0.83) ACE2CYP2C19MEN1KMT2AALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170204075-A1 AMINOALCOHOL LIPIDOIDS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2017-07-20 US disclosed
EP-2365962-B1 AMINOALCOHOL LIPIDOIDS AND USES THEREOF MASSACHUSETTS INST TECHNOLOGY (US) 2017-07-05 EP disclosed
US-9556110-B2 Aminoalcohol lipidoids and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2017-01-31 US disclosed
US-20150203439-A1 AMINOALCOHOL LIPIDOIDS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2015-07-23 US disclosed
US-8969353-B2 Aminoalcohol lipidoids and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-03-03 US disclosed
US-8450298-B2 Aminoalcohol lipidoids and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-05-28 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 (3 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-20150203439-A1 AMINOALCOHOL LIPIDOIDS AND USES THEREOF PHOSPHO1, PNMT, AASDHPPT ACE2 1076/4885CYP2C19 1032/4885MEN1 2403/4885
US-20110293703-A1 AMINOALCOHOL LIPIDOIDS AND USES THEREOF PHOSPHO1, PNMT, AASDHPPT ACE2 1076/4885CYP2C19 1032/4885MEN1 2403/4885
US-20170204075-A1 AMINOALCOHOL LIPIDOIDS AND USES THEREOF PHOSPHO1, PNMT, AASDHPPT ACE2 1076/4885CYP2C19 1032/4885MEN1 2403/4885

“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.