SCHEMBL6345939

SCHEMBL6345939

COc1ccc(C(=O)N(CC(=O)N2CCC(Oc3ccccc3SC)CC2)c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.46
PTGIR P43119 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CHRM1 P11229 3/20 0.44
CHRM3 P20309 3/20 0.44
CHRM5 P08912 2/20 0.44
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 2/20 0.42
NPY1R P25929 1/20 0.42
NPY2R P49146 1/20 0.42
MAPT P10636 3/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CHRM2 P08172 1/20 0.40
BACE1 P56817 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
SCHEMBL6345696 0.88 ACHE (0.48) ACHEPTGIRCHRM1CHRM3CHRM5
SCHEMBL6346963 0.88 ACHE (0.52) ACHEPTGIRCHRM1CHRM3CHRM5
SCHEMBL6354271 0.87 ACHE (0.52) ACHEPTGIRCHRM1CHRM3CHRM5
SCHEMBL6344309 0.85 ACHE (0.48) ACHEPTGIRSMN1; SMN2CHRM1CHRM3
SCHEMBL6347220 0.85 KMT2A (0.47) ACHEPTGIRSMN1; SMN2CHRM1CHRM3
SCHEMBL6346311 0.83 ACHE (0.51) ACHEPTGIRCHRM1CHRM3CHRM5
SCHEMBL6353171 0.83 ACHE (0.47) ACHEPTGIRCHRM1CHRM3CHRM5
SCHEMBL6347280 0.83 MAPT (0.48) ACHEPTGIRCHRM1CHRM3CHRM5
SCHEMBL6215237 0.82 ACHE (0.54) ACHEPTGIRCHRM1CHRM3CHRM5
SCHEMBL6347249 0.81 ACHE (0.47) ACHEPTGIRCHRM1CHRM3CHRM5

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-6878725-B2 Serine protease inhibitors ELI LILLY AND COMPANY (US) 2005-04-12 US disclosed
US-6855715-B1 Serine protease inhibitors ELI LILLY AND COMPANY (US) 2005-02-15 US disclosed
US-20050032790-A1 For example, 1-(2-Amino-4-chlorobenzoyl-D-phenylglycinyl)-4,4'-bispiperidine; for treatment of thrombosis, emphysema, cirrhosis; antiarthritic agents, anticancer agents, antihistamines LIEBESCHUETZ JOHN WALTER (GB) 2005-02-10 US disclosed
US-20040242656-A1 Serine protease inhibitors LIEBESCHUETZ JOHN WALTER (GB) 2004-12-02 US disclosed
EP-1289950-B1 SERINE PROTEASE INHIBITORS LILLY CO ELI (US) 2004-09-08 EP disclosed
US-20030078438-A1 Serine protease inhibitors ELI LILLY AND COMPANY 2003-04-24 US disclosed
EP-1192132-A2 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2002-04-03 EP disclosed
EP-1192135-A2 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2002-04-03 EP disclosed
WO-2000076970-A2 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2000-12-21 WO disclosed
WO-2000076971-A2 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2000-12-21 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-20030078438-A1 Serine protease inhibitors HPN, LPXN, PRSS1 ACHE 1821/4885PTGIR 1107/4885SMN1; SMN2 2630/4885
US-20050032790-A1 For example, 1-(2-Amino-4-chlorobenzoyl-D-phenylglycinyl)-4,4'-bispiperidine; for treatment of thrombosis, emphysema, cirrhosis; antiarthritic agents, anticancer agents, antihistamines SERPINB1, SERPINE1, SERPINH1 ACHE 1271/4885PTGIR 325/4885SMN1; SMN2 4484/4885
US-20040242656-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 ACHE 2174/4885PTGIR 1232/4885SMN1; SMN2 1756/4885

“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.