SCHEMBL4840182

SCHEMBL4840182

CC(C)(C)OC(=O)N(CC(=O)N1CCN(CCc2cccnn2)CC1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.41
TP53 P04637 3/20 0.39
THRB P10828 2/20 0.36
ACKR3 P25106 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL4839963 0.89 TP53 (0.52) SIGMAR1TP53THRBKDM4EALDH1A1
SCHEMBL4836879 0.84 SIGMAR1 (0.41) SIGMAR1TP53THRBALDH1A1
SCHEMBL4836692 0.84 POLB (0.49) SIGMAR1THRB
SCHEMBL4832377 0.83 SIGMAR1 (0.43) SIGMAR1TP53THRBACKR3CHRM2
SCHEMBL4840596 0.83 SIGMAR1 (0.46) SIGMAR1KDM4EALDH1A1
SCHEMBL4837103 0.81 SIGMAR1 (0.41) SIGMAR1TP53ACKR3TSHR
SCHEMBL4832361 0.80 SIGMAR1 (0.44) SIGMAR1CHRM2CHRM4CHRM1CHRM3
SCHEMBL4832522 0.79 GPR119 (0.43) SIGMAR1THRBCHRM1
SCHEMBL4837332 0.79 OPRD1 (0.47) SIGMAR1THRBCHRM2CHRM4CHRM1
SCHEMBL9462100 0.79 SIGMAR1 (0.48) SIGMAR1CHRM3KDM4E

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 SIGMAR1 639/4885TP53 2550/4885THRB 1735/4885
US-20040142963-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 SIGMAR1 3111/4885TP53 4473/4885THRB 4088/4885
US-20040176363-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 SIGMAR1 3111/4885TP53 4473/4885THRB 4088/4885

“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.