SCHEMBL4837064

SCHEMBL4837064

CC(C)(C)OC(=O)N1CCN(C(=O)Cn2ccnc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DTYMK P23919 2/20 0.47
GPR119 Q8TDV5 5/20 0.44
ALDH1A1 P00352 2/20 0.44
TPSAB1 Q15661 1/20 0.44
TPSD1 Q9BZJ3 1/20 0.44
TPSG1 Q9NRR2 1/20 0.44
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
TACR1 P25103 1/20 0.42
USP2 O75604 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 1/20 0.41
MEN1 O00255 1/20 0.39
GLA P06280 1/20 0.39
KMT2A Q03164 1/20 0.39
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
NAMPT P43490 1/20 0.39

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
Iodide SCHEMBL27209184 0.99 DTYMK (0.47) DTYMKGPR119ALDH1A1TPSAB1TPSD1
SCHEMBL25809065 0.80 ALDH1A1 (0.51) ALDH1A1TPSAB1TPSD1TPSG1POLB
SCHEMBL6777930 0.79 GPR119 (0.45) GPR119USP2SMN1; SMN2NAMPT
SCHEMBL2018953 0.79 GPR119 (0.50) GPR119
SCHEMBL15471358 0.77 ALDH1A1 (0.43) ALDH1A1TPSAB1TPSD1TPSG1TACR1
SCHEMBL2262506 0.77 ALDH1A1 (0.52) GPR119ALDH1A1USP2SMN1; SMN2POLB
SCHEMBL15006505 0.77 ALDH1A1 (0.45) ALDH1A1TPSAB1TPSD1TPSG1TACR1
SCHEMBL12519918 0.76 ALDH1A1 (0.55) ALDH1A1TPSAB1TPSD1TPSG1CHRM2
SCHEMBL4151455 0.76 ALDH1A1 (0.55) ALDH1A1
SCHEMBL25806808 0.76 ALDH1A1 (0.47) ALDH1A1TPSAB1TPSD1TPSG1USP2

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 11 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
CN-1213040-C Serine protease inhibitors LILLY CO ELI (US) 2005-08-03 CN 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 DTYMK 1831/4885GPR119 4587/4885ALDH1A1 2408/4885
US-20040142963-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 DTYMK 3793/4885GPR119 2989/4885ALDH1A1 2261/4885
US-20040176363-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 DTYMK 3793/4885GPR119 2989/4885ALDH1A1 2261/4885

“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.