SCHEMBL5867904

SCHEMBL5867904

COc1ccc(C(=O)N(CC(=O)NCC2CCN(Cc3ccccc3)CC2)c2ccccc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 11/20 0.72
FAAH O00519 5/20 0.67
CHRM2 P08172 1/20 0.57
CHRM3 P20309 1/20 0.57
BACE1 P56817 1/20 0.55
BCHE P06276 3/20 0.55
SMN1; SMN2 Q16637 1/20 0.54
SIGMAR1 Q99720 1/20 0.52
DRD2 P14416 1/20 0.52
DRD4 P21917 1/20 0.52

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
SCHEMBL5868258 0.91 ACHE (0.58) ACHEFAAHCHRM2CHRM3
SCHEMBL5867951 0.89 ACHE (0.55) ACHEFAAHCHRM3BACE1
SCHEMBL5867983 0.87 ACHE (0.54) ACHEFAAHSMN1; SMN2
SCHEMBL5867969 0.86 ACHE (0.52) ACHEFAAHBACE1
SCHEMBL5868124 0.85 ACHE (0.52) ACHEFAAHCHRM2CHRM3BACE1
SCHEMBL5868059 0.84 ACHE (0.51) ACHEFAAHBACE1
SCHEMBL5867979 0.84 ACHE (0.51) ACHEFAAHCHRM2CHRM3SMN1; SMN2
SCHEMBL5867913 0.84 ACHE (0.50) ACHEFAAHCHRM3BACE1BCHE
SCHEMBL5868101 0.84 ACHE (0.50) ACHEFAAHBACE1
SCHEMBL5867956 0.84 ACHE (0.48) ACHEFAAHBACE1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7053078-B2 Serine protease inhibitors ELI LILLY AND COMPANY (US) 2006-05-30 US disclosed
EP-1289954-B1 SERINE PROTEASE INHIBITORS LILLY CO ELI (US) 2005-09-14 EP disclosed
US-6900196-B2 Serine protease inhibitors ELI LILLY AND COMPANY (US) 2005-05-31 US disclosed
US-20040259868-A1 Serine protease inhibitors LIEBESCHUETZ JOHN WALTER (GB) 2004-12-23 US disclosed
US-20030109706-A1 Serine pretease inhibitors ELI LILLY AND COMPANY 2003-06-12 US disclosed
EP-1289954-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-03-12 EP disclosed
WO-2001096303-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 (2 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-20030109706-A1 Serine pretease inhibitors PRSS1, SERPINE1, HPN ACHE 2079/4885FAAH 652/4885CHRM2 3408/4885
US-20040259868-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 ACHE 2174/4885FAAH 563/4885CHRM2 3822/4885

“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.