SCHEMBL6282265

SCHEMBL6282265

CC(C)(C)OC(=O)Cn1c(=O)ccn(CC(=O)OCc2ccccc2)c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
TP53 P04637 1/20 0.45
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ELANE P08246 1/20 0.40
TSHR P16473 3/20 0.39
HTT P42858 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
PLA2G10 O15496 1/20 0.38
PLA2G5 P39877 1/20 0.38

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
SCHEMBL6280747 0.83 KDM4E (0.45) ALDH1A1KDM4EELANEHDAC6
SCHEMBL23397121 0.77 KMT2A (0.46) RAB9ANPC1TP53ALDH1A1KDM4E
SCHEMBL18171819 0.77 ALDH1A1 (0.56) RAB9ANPC1TP53ALDH1A1KDM4E
SCHEMBL2811174 0.75 ALDH1A1 (0.49) RAB9ANPC1TP53ALDH1A1SMN1; SMN2
SCHEMBL15982318 0.75 ALDH1A1 (0.49) RAB9ANPC1TP53ALDH1A1SMN1; SMN2
SCHEMBL28519312 0.75 ALDH1A1 (0.49) RAB9ANPC1TP53ALDH1A1SMN1; SMN2
SCHEMBL25422192 0.75 ALDH1A1 (0.49) RAB9ANPC1TP53ALDH1A1SMN1; SMN2
SCHEMBL12004770 0.75 ALDH1A1 (0.49) RAB9ANPC1TP53ALDH1A1SMN1; SMN2
SCHEMBL7641512 0.75 MAPK14 (0.62)
SCHEMBL15023570 0.74 LMNA (0.47) RAB9ANPC1TP53ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6852744-B2 Pyrrolidine derivatives and their use as chymase inhibitor DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2005-02-08 US disclosed
US-6835714-B1 Heterocyclic compounds, intermediates thereof and elastase inhibitors DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2004-12-28 US disclosed
US-20040102384-A1 Pyrrolidine derivatives and their use as chymase inhibitor DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2004-05-27 US disclosed
EP-1157998-B1 HETEROCYCLIC COMPOUNDS, INTERMEDIATES THEREOF AND ELASTASE INHIBITORS DAINIPPON PHARMACEUTICAL CO (JP) 2004-02-11 EP disclosed
EP-1157998-A1 HETEROCYCLIC COMPOUNDS, INTERMEDIATES THEREOF AND ELASTASE INHIBITORS Dainippon Pharmaceutical Co., Ltd. (JP) 2001-11-28 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-20040102384-A1 Pyrrolidine derivatives and their use as chymase inhibitor CMA1, CTRL, TPSD1 RAB9A 1748/4885NPC1 1986/4885TP53 2331/4885

“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.