SCHEMBL6356444

SCHEMBL6356444

CC(C)(C)OC(=O)N1C=C(N2CCCCC2)C(N)=CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.36
NPC1 O15118 2/20 0.35
HPGD P15428 1/20 0.35
GPR119 Q8TDV5 3/20 0.34
PDK4 Q16654 1/20 0.34
GRM5 P41594 2/20 0.34
SMARCA2 P51531 1/20 0.33
SMARCA4 P51532 1/20 0.33
PBRM1 Q86U86 1/20 0.33
KDM4E B2RXH2 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
JAK3 P52333 1/20 0.33
GRM1 Q13255 1/20 0.33
CKS1B P61024 1/20 0.33
SKP1 P63208 1/20 0.33
SKP2 Q13309 1/20 0.33
POLB P06746 1/20 0.33
NAMPT P43490 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
SCHEMBL2274544 0.75 KDM4E (0.37) NR1H2GPR119PDK4GRM5KDM4E
SCHEMBL30674376 0.69 BCHE (0.44) NR1H2GPR119PDK4GRM5GRM1
SCHEMBL975177 0.69 HPGD (0.37) NR1H2HPGDGPR119SMN1; SMN2CKS1B
SCHEMBL6356445 0.68 NR1H2 (0.39) NR1H2NPC1HPGDGPR119KDM4E
SCHEMBL15390474 0.67 NR1H2 (0.39) NR1H2PDK4GRM5KDM4ESMN1; SMN2
SCHEMBL1016428 0.67 PDK4 (0.47) NR1H2HPGDGPR119PDK4GRM5
SCHEMBL6364931 0.65 NR1H2 (0.52) NR1H2NPC1HPGDGPR119SMARCA2
SCHEMBL22657953 0.64 HPGD (0.44) NR1H2HPGDSMN1; SMN2ABL1RIN1
SCHEMBL13177723 0.64 ADORA1 (0.51) NR1H2PDK4GRM5KDM4ESMN1; SMN2
SCHEMBL27903352 0.64 HTT (0.35) NR1H2GPR119GRM5SMN1; SMN2GRM1

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 841/4885NPC1 1474/4885HPGD 364/4885
US-20040242656-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 NR1H2 1076/4885NPC1 942/4885HPGD 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.