SCHEMBL6356445

SCHEMBL6356445

CC(C)(C)OC(=O)N1C=CC(N)=C(N2CCCCC2)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.39
ADORA1 P30542 2/20 0.37
HPGD P15428 1/20 0.35
ESR2 Q92731 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 3/20 0.34
MAPT P10636 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
JAK3 P52333 1/20 0.33
ABL1 P00519 1/20 0.32
RIN1 Q13671 1/20 0.32
GPR119 Q8TDV5 3/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MAP4K4 O95819 1/20 0.32
THRB P10828 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL2274541 0.75 ADORA1 (0.40) NR1H2ADORA1ESR2KDM4EMAPT
SCHEMBL1197795 0.74 NR1H2 (0.39) NR1H2ADORA1ESR2KDM4EMAPT
SCHEMBL22720838 0.70 NR1H2 (0.41) NR1H2ESR2KDM4EMAPTSMN1; SMN2
SCHEMBL28688256 0.70 ESR2 (0.41) NR1H2ESR2KDM4EMAPTSMN1; SMN2
SCHEMBL1198209 0.69 NR1H2 (0.39) NR1H2ADORA1ESR2KDM4EMAPT
SCHEMBL6356444 0.68 NR1H2 (0.36) NR1H2ADORA1HPGDL3MBTL1KDM4E
SCHEMBL15390474 0.67 NR1H2 (0.39) NR1H2ADORA1ESR2KDM4EMAPT
SCHEMBL28831819 0.67 ESR2 (0.40) NR1H2ESR2KDM4EMAPTSMN1; SMN2
SCHEMBL4439029 0.67 NR1H2 (0.42) NR1H2ADORA1ESR2KDM4EMAPT
Acetic Acid SCHEMBL28215593 0.67 SMN1; SMN2 (0.40) NR1H2ADORA1ESR2KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6878725-B2 Serine protease inhibitors ELI LILLY AND COMPANY (US) 2005-04-12 US disclosed
US-20040242656-A1 Serine protease inhibitors LIEBESCHUETZ JOHN WALTER (GB) 2004-12-02 US disclosed
EP-1289950-B1 SERINE PROTEASE INHIBITORS LILLY CO ELI (US) 2004-09-08 EP disclosed
US-20030078438-A1 Serine protease inhibitors ELI LILLY AND COMPANY 2003-04-24 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 (2 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-20030078438-A1 Serine protease inhibitors HPN, LPXN, PRSS1 NR1H2 841/4885ADORA1 4569/4885HPGD 364/4885
US-20040242656-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 NR1H2 1076/4885ADORA1 3753/4885HPGD 407/4885

“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.