SCHEMBL4836347

SCHEMBL4836347

COc1ccc(C(=O)N(CC(=O)N2CCN(CCC3CCCC3)CC2)c2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.57
PTGIR P43119 1/20 0.49
CHRM3 P20309 4/20 0.47
OPRM1 P35372 4/20 0.47
DRD3 P35462 2/20 0.45
DRD2 P14416 1/20 0.45
KCNA5 P22460 1/20 0.45
SIGMAR1 Q99720 1/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44
CHRM5 P08912 1/20 0.43
CHRM1 P11229 1/20 0.43
MAPT P10636 1/20 0.43
CYP2J2 P51589 1/20 0.43

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
Hydrochloric Acid SCHEMBL4842154 0.99 ACHE (0.56) ACHEPTGIRCHRM3OPRM1DRD3
Hydrochloric Acid SCHEMBL4839092 0.98 ACHE (0.55) ACHEPTGIRCHRM3OPRM1DRD3
SCHEMBL4840176 0.90 ACHE (0.53) ACHEPTGIRCHRM3MEN1POLB
SCHEMBL4841732 0.85 ACHE (0.55) ACHEPTGIRCHRM3OPRM1DRD3
SCHEMBL4837431 0.84 SIGMAR1 (0.57) ACHEPTGIRCHRM3OPRM1DRD3
SCHEMBL4842187 0.84 ALDH1A1 (0.55) ACHEPTGIRMEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL6372221 0.84 ACHE (0.54) ACHEPTGIRCHRM3OPRM1DRD3
SCHEMBL4840307 0.83 ALDH1A1 (0.57) ACHECHRM3POLBKMT2ACHRM1
SCHEMBL4840060 0.83 CHRM3 (0.52) ACHECHRM3OPRM1SIGMAR1MEN1
SCHEMBL6376440 0.83 ACHE (0.56) ACHEPTGIRCHRM3OPRM1MEN1

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 ACHE 3190/4885PTGIR 2205/4885CHRM3 3980/4885
US-20040142963-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 ACHE 2174/4885PTGIR 1232/4885CHRM3 4603/4885
US-20040176363-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 ACHE 2174/4885PTGIR 1232/4885CHRM3 4603/4885

“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.