SCHEMBL1648628

SCHEMBL1648628

CC(C)(C)OC(=O)N1CCCc2ccc(CO)cc2C1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.59
ESR2 Q92731 1/20 0.54
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
TMEM97 Q5BJF2 6/20 0.46
SIGMAR1 Q99720 6/20 0.46
MAPK1 P28482 1/20 0.44
RIPK1 Q13546 3/20 0.44
HDAC1 Q13547 1/20 0.43
GPR119 Q8TDV5 1/20 0.43
DDB1 Q16531 1/20 0.43
CRBN Q96SW2 1/20 0.43
NAMPT P43490 2/20 0.41
HDAC6 Q9UBN7 1/20 0.40
UCHL1 P09936 1/20 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
SCHEMBL1285596 0.93 NR1H2 (0.69) NR1H2ESR2NPC1RAB9ATMEM97
SCHEMBL29407557 0.93 NR1H2 (0.69) NR1H2ESR2NPC1RAB9ATMEM97
SCHEMBL29407529 0.88 ESR2 (0.70) NR1H2ESR2NPC1RAB9ATMEM97
SCHEMBL168265 0.88 ESR2 (0.70) NR1H2ESR2NPC1RAB9ATMEM97
SCHEMBL29974005 0.87 ESR2 (0.54) NR1H2ESR2MAPK1HDAC1GPR119
SCHEMBL1650190 0.87 ESR2 (0.54) NR1H2ESR2MAPK1HDAC1GPR119
SCHEMBL1787313 0.85 ESR2 (0.59) NR1H2ESR2NPC1RAB9AGPR119
SCHEMBL15503125 0.84 ESR2 (0.59) NR1H2ESR2NPC1RAB9ATMEM97
SCHEMBL1648703 0.84 ESR2 (0.76) NR1H2ESR2NPC1RAB9ATMEM97
SCHEMBL29598893 0.84 ESR2 (0.76) NR1H2ESR2NPC1RAB9ATMEM97

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 4507/4885NPC1 3463/4885

“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.