SCHEMBL6353754

SCHEMBL6353754

CC(C)(C)OC(=O)N(CC(=O)N1CCC(Nc2ccncc2)CC1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
NPC1 O15118 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PTPRB P23467 1/20 0.41
PTPN11 Q06124 1/20 0.41
F2 P00734 2/20 0.40
SIGLEC9 Q9Y336 1/20 0.38
NOS2 P35228 1/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
GPR119 Q8TDV5 3/20 0.38
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
GRIN2B Q13224 1/20 0.37
USP30 Q70CQ3 2/20 0.37
EPHX2 P34913 1/20 0.37

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
SCHEMBL6343306 0.90 SIGLEC9 (0.51) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL6421010 0.87 GRIN2B (0.53) ALDH1A1PTPRBPTPN11F2CYP2D6
SCHEMBL6346955 0.86 NOS2 (0.54) PTPRBPTPN11NOS2GPR119GRIN2B
Trifluoroacetic Acid SCHEMBL6421335 0.83 GRIN2B (0.49) ALDH1A1PTPRBPTPN11F2CYP2D6
SCHEMBL4836692 0.82 POLB (0.49)
SCHEMBL6215082 0.81 PTPRB (0.43) ALDH1A1NPC1HTTRAB9APTPRB
SCHEMBL6347296 0.78 SIGLEC9 (0.49) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL3963092 0.77 ALDH1A1 (0.71) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL4832232 0.76 SIGMAR1 (0.40) MAPK1HTTF2KDM4E
SCHEMBL9462100 0.76 SIGMAR1 (0.48) KDM4E

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 6 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
EP-1289950-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-03-12 EP disclosed
WO-2001096296-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2001-12-20 WO 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 ALDH1A1 3720/4885MAPT 4821/4885NPC1 1474/4885
US-20040242656-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 ALDH1A1 2261/4885MAPT 4835/4885NPC1 942/4885

“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.