SCHEMBL1648607

SCHEMBL1648607

CCOC(=O)c1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.63
ESR2 Q92731 1/20 0.58
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
ADORA1 P30542 1/20 0.49
HDAC6 Q9UBN7 2/20 0.46
HDAC8 Q9BY41 1/20 0.46
ATM Q13315 1/20 0.44
MAP3K5 Q99683 1/20 0.44
MAPK1 P28482 4/20 0.43
ALDH1A1 P00352 3/20 0.43
TSHR P16473 2/20 0.43
HPGD P15428 2/20 0.43
SRD5A1 P18405 1/20 0.43
SRD5A2 P31213 1/20 0.43
KDM4E B2RXH2 3/20 0.43
HSD17B10 Q99714 2/20 0.43
POLB P06746 1/20 0.43
ALOX15 P16050 1/20 0.43
IGF1R P08069 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 1.00 NR1H2 (0.63) NR1H2ESR2MEN1KMT2AADORA1
SCHEMBL30583396 0.95 ESR2 (0.65) NR1H2ESR2MEN1KMT2AADORA1
SCHEMBL31337577 0.95 ESR2 (0.65) NR1H2ESR2MEN1KMT2AADORA1
SCHEMBL1648620 0.93 NR1H2 (0.55) NR1H2ESR2MEN1KMT2AADORA1
SCHEMBL1650181 0.90 ESR2 (0.50) NR1H2ESR2MEN1KMT2AADORA1
SCHEMBL18362773 0.89 NR1H2 (0.58) NR1H2ESR2MEN1KMT2AHDAC6
SCHEMBL2277894 0.87 NR1H2 (0.67) NR1H2ESR2HDAC6HDAC8MAPK1
SCHEMBL29589913 0.87 NR1H2 (0.67) NR1H2ESR2HDAC6HDAC8MAPK1
SCHEMBL31162867 0.86 NR1H2 (0.57) NR1H2ESR2MAP3K5SRD5A1SRD5A2
SCHEMBL29373737 0.84 NR1H2 (0.70) NR1H2ESR2ADORA1HDAC6HDAC8

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 4507/4885MEN1 349/4885

“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.