SCHEMBL5868057

SCHEMBL5868057

CN(CC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LIMK2 P53671 1/20 0.58
KDM4E B2RXH2 1/20 0.53
PKM P14618 1/20 0.53
YAP1 P46937 3/20 0.50
STS P08842 1/20 0.50
JAK2 O60674 1/20 0.50
JAK1 P23458 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
GPR119 Q8TDV5 3/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
GRIN2B Q13224 1/20 0.48
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
CYP2C19 P33261 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL19123127 0.94 JAK2 (0.53) LIMK2KDM4EPKMYAP1STS
SCHEMBL21997461 0.90 KDM4E (0.52) LIMK2KDM4EPKMYAP1STS
SCHEMBL28830506 0.90 KDM4E (0.54) LIMK2KDM4EPKMYAP1STS
SCHEMBL1240761 0.86 KDM4E (0.50) LIMK2KDM4EPKMYAP1STS
SCHEMBL19063601 0.85 JAK2 (0.52) LIMK2KDM4EPKMYAP1STS
SCHEMBL803663 0.84 JAK2 (0.54) KDM4EPKMSTSJAK2JAK1
SCHEMBL27140943 0.84 SMN1; SMN2 (0.52) LIMK2KDM4EPKMYAP1STS
SCHEMBL31697910 0.84 SMN1; SMN2 (0.52) LIMK2KDM4EPKMYAP1STS
SCHEMBL25292448 0.82 SIGMAR1 (0.51) SMN1; SMN2NPC1RAB9AL3MBTL1KMT2A
SCHEMBL9546474 0.82 CCR1 (0.54) LIMK2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7053078-B2 Serine protease inhibitors ELI LILLY AND COMPANY (US) 2006-05-30 US disclosed
EP-1289954-B1 SERINE PROTEASE INHIBITORS LILLY CO ELI (US) 2005-09-14 EP disclosed
US-6900196-B2 Serine protease inhibitors ELI LILLY AND COMPANY (US) 2005-05-31 US disclosed
US-20040259868-A1 Serine protease inhibitors LIEBESCHUETZ JOHN WALTER (GB) 2004-12-23 US disclosed
US-20030109706-A1 Serine pretease inhibitors ELI LILLY AND COMPANY 2003-06-12 US disclosed
EP-1289954-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-03-12 EP disclosed
WO-2001096303-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2001-12-20 WO disclosed
WO-1993023373-A1 N-[N'-(5-AMINO-4-HYDROXY-ACYLOYL)-α-AMINOACYLOYL] SUBSTITUTED HETEROCYCLES AND THEIR USE AS ANTIVIRAL AGENTS PFIZER LIMITED (GB) 1993-11-25 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-20030109706-A1 Serine pretease inhibitors PRSS1, SERPINE1, HPN LIMK2 1820/4885KDM4E 2936/4885PKM 1204/4885
US-20040259868-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 LIMK2 1540/4885KDM4E 3503/4885PKM 2089/4885

“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.