SCHEMBL4840835

SCHEMBL4840835

CC(C)(C)OC(=O)N1CCN(CC(=O)c2nccs2)CC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.48
CHRM4 P08173 1/20 0.48
CHRM1 P11229 1/20 0.48
CHRM3 P20309 1/20 0.48
DTYMK P23919 2/20 0.47
GPR119 Q8TDV5 6/20 0.44
POLB P06746 1/20 0.44
TERT O14746 1/20 0.43
FAAH O00519 1/20 0.41
ACKR3 P25106 2/20 0.40
ACHE P22303 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL693981 0.84 POLB (0.53) DTYMKGPR119POLB
SCHEMBL210449 0.81 KCNA5 (0.59)
SCHEMBL2733360 0.81 CYP3A4 (0.60) DTYMKGPR119POLBCYP3A4
SCHEMBL209862 0.80 CHRM2 (0.44) CHRM2CHRM4CHRM1CHRM3DTYMK
SCHEMBL407896 0.78 GPR119 (0.52) GPR119
SCHEMBL3556075 0.77 CHRM2 (0.56) CHRM2CHRM4CHRM1CHRM3DTYMK
SCHEMBL15689405 0.77 GPR119 (0.44) DTYMKGPR119POLB
SCHEMBL1199416 0.76 HRH3 (0.54) DTYMKGPR119POLBACHE
SCHEMBL948519 0.75 CHRM2 (0.48) CHRM2CHRM4CHRM1CHRM3DTYMK
SCHEMBL4069974 0.75 MEN1 (0.46) CHRM2CHRM4CHRM1CHRM3DTYMK

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 12 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
CN-1438999-A Serine protease inhibitors LILLY CO ELI (US) 2003-08-27 CN 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 CHRM2 4218/4885CHRM4 4580/4885CHRM1 2529/4885
US-20040142963-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 CHRM2 3822/4885CHRM4 4737/4885CHRM1 2784/4885
US-20040176363-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 CHRM2 3822/4885CHRM4 4737/4885CHRM1 2784/4885

“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.