SCHEMBL4837336

SCHEMBL4837336

COc1ccc(C(=O)N(CC(=O)N2CCN(CC3CCN(C(=O)OC(C)(C)C)CC3)CC2)c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.52
GPR119 Q8TDV5 4/20 0.51
ALDH1A1 P00352 1/20 0.48
SLC2A1 P11166 1/20 0.47
KDM4E B2RXH2 1/20 0.45
PKM P14618 1/20 0.45
BACE1 P56817 1/20 0.45
LIMK2 P53671 1/20 0.44
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
POLB P06746 1/20 0.44
USP30 Q70CQ3 1/20 0.42
TGFBR1 P36897 1/20 0.42
PTGIR P43119 1/20 0.42

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
SCHEMBL4842090 0.90 GPR119 (0.53) ACHEGPR119ALDH1A1SLC2A1KDM4E
SCHEMBL4841732 0.88 ACHE (0.55) ACHEMEN1KMT2APOLBPTGIR
SCHEMBL6376440 0.88 ACHE (0.56) ACHEALDH1A1KDM4EMEN1KMT2A
Hydrochloric Acid SCHEMBL6372221 0.87 ACHE (0.54) ACHEMEN1KMT2APOLBPTGIR
SCHEMBL4840176 0.87 ACHE (0.53) ACHEALDH1A1KDM4EBACE1MEN1
Hydrochloric Acid SCHEMBL4841747 0.84 ACHE (0.51) ACHEALDH1A1KDM4EBACE1MEN1
Hydrochloric Acid SCHEMBL6376437 0.84 ACHE (0.51) ACHEALDH1A1KDM4EBACE1MEN1
Hydrochloric Acid SCHEMBL6371484 0.84 ACHE (0.55) ACHEKDM4EBACE1MEN1KMT2A
SCHEMBL5868024 0.83 KDM4E (0.58) ACHEGPR119ALDH1A1SLC2A1KDM4E
Trifluoroacetic Acid SCHEMBL4837060 0.82 ACHE (0.49) ACHEALDH1A1BACE1MEN1KMT2A

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 15 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
EP-1192132-B1 SERINE PROTEASE INHIBITORS LILLY CO ELI (US) 2005-09-07 EP 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-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-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-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 (4 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 3190/4885GPR119 4587/4885ALDH1A1 2408/4885
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 1271/4885GPR119 3347/4885ALDH1A1 2527/4885
US-20040142963-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 ACHE 2174/4885GPR119 2989/4885ALDH1A1 2261/4885
US-20040176363-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 ACHE 2174/4885GPR119 2989/4885ALDH1A1 2261/4885

“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.