SCHEMBL4838599

SCHEMBL4838599

CC(C)(C)OC(=O)N1CCC(CN2CCN(C(=O)CN(C(=O)OCc3ccccc3)c3ccccc3)CC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
PKM P14618 1/20 0.44
PTPRB P23467 1/20 0.44
PTPN11 Q06124 1/20 0.44
YAP1 P46937 3/20 0.43
STS P08842 1/20 0.42
GPR119 Q8TDV5 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
CACNA2D1 P54289 1/20 0.41

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
SCHEMBL4842101 0.90 MEN1 (0.46) PTPRBPTPN11STSGPR119MEN1
SCHEMBL6421717 0.85 LMNA (0.44) MEN1KMT2AALDH1A1LMNANPC1
SCHEMBL2386800 0.85 SMN1; SMN2 (0.56) KDM4EPKMYAP1STSGPR119
SCHEMBL18921646 0.85 SMN1; SMN2 (0.56) KDM4EPKMYAP1STSGPR119
SCHEMBL6378254 0.83 PTPRB (0.53) KDM4EPKMPTPRBPTPN11YAP1
SCHEMBL5867867 0.82 KDM4E (0.57) KDM4EPKMPTPRBPTPN11YAP1
SCHEMBL29132380 0.82 SMN1; SMN2 (0.54) KDM4EPKMYAP1STSGPR119
SCHEMBL5868106 0.81 KDM4E (0.49) KDM4EPKMPTPRBPTPN11YAP1
SCHEMBL26925080 0.81 SMN1; SMN2 (0.52) KDM4EPKMYAP1STSGPR119
SCHEMBL4837336 0.81 ACHE (0.52) KDM4EPKMGPR119MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7351822-B2 Serine protease inhibitors ELI LILLY AND COMPANY (US) 2008-04-01 US disclosed
US-6946467-B2 Serine protease inhibitors ELI LILLY AND COMPANY (US) 2005-09-20 US disclosed
US-6936611-B2 Serine protease inhibitors ELI LILLY AND COMPANY (US) 2005-08-30 US disclosed
EP-1510515-A1 Phenylglycine derivatives as serine protease inhibitors ELI LILLY AND COMPANY (US) 2005-03-02 EP disclosed
US-20040176363-A1 Serine protease inhibitors LIEBESCHUETZ JOHN WALTER (GB) 2004-09-09 US disclosed
EP-1289972-B1 SERINE PROTEASE INHIBITORS LILLY CO ELI (US) 2004-09-08 EP disclosed
US-20040142963-A1 Serine protease inhibitors LIEBESCHUETZ JOHN WALTER (GB) 2004-07-22 US disclosed
US-20030055246-A1 Serine protease inhibitors PROTHERICS MOLECULAR DESIGN LIMITED (GB) 2003-03-20 US disclosed
EP-1289972-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-03-12 EP disclosed
WO-2001096323-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 (3 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-20030055246-A1 Serine protease inhibitors CTRL, CPN1, LOXL1 KDM4E 3205/4885PKM 4773/4885PTPRB 2711/4885
US-20040142963-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 KDM4E 3503/4885PKM 2089/4885PTPRB 2532/4885
US-20040176363-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 KDM4E 3503/4885PKM 2089/4885PTPRB 2532/4885

“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.