SCHEMBL1648620

SCHEMBL1648620

CCOC(=O)c1ccc2c(c1)CN(C(=O)OC(C)(C)C)CCC2

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.55
ESR2 Q92731 1/20 0.50
HDAC6 Q9UBN7 1/20 0.47
RIPK1 Q13546 2/20 0.46
ADORA1 P30542 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
TMEM97 Q5BJF2 4/20 0.43
SIGMAR1 Q99720 4/20 0.43
ATM Q13315 1/20 0.43
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SRD5A1 P18405 1/20 0.42
SRD5A2 P31213 1/20 0.42

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
SCHEMBL30583454 0.93 NR1H2 (0.63) NR1H2ESR2HDAC6ADORA1MEN1
SCHEMBL1648607 0.93 NR1H2 (0.63) NR1H2ESR2HDAC6ADORA1MEN1
SCHEMBL30583396 0.89 ESR2 (0.65) NR1H2ESR2HDAC6ADORA1MEN1
SCHEMBL31337577 0.89 ESR2 (0.65) NR1H2ESR2HDAC6ADORA1MEN1
SCHEMBL1650181 0.88 ESR2 (0.50) NR1H2ESR2HDAC6ADORA1MEN1
SCHEMBL1649493 0.86 NR1H2 (0.62) NR1H2ESR2HDAC6RIPK1MEN1
SCHEMBL17991072 0.83 ESR2 (0.44) NR1H2ESR2RIPK1ADORA1MEN1
SCHEMBL1263486 0.83 ESR2 (0.59) NR1H2ESR2HDAC6RIPK1MEN1
SCHEMBL18362773 0.83 NR1H2 (0.58) NR1H2ESR2HDAC6MEN1KMT2A
SCHEMBL29589913 0.80 NR1H2 (0.67) NR1H2ESR2HDAC6NPC1RAB9A

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-20110172416-A1 AMIDINE DERIVATIVE AJINOMOTO CO., INC. (JP) 2011-07-14 US disclosed
EP-2311810-A1 AMIDINE DERIVATIVE Ajinomoto Co., Inc. (JP) 2011-04-20 EP 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-20110172416-A1 AMIDINE DERIVATIVE SERPINC1, F12, F11 NR1H2 2374/4885ESR2 4507/4885HDAC6 431/4885

“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.