SCHEMBL4840440

SCHEMBL4840440

COc1ccc(C(=O)N(CC(=O)N2CCN(Cc3ccccn3)CC2)c2ccccc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ ALDH1A1 P00352 10/20 0.53
▸ KDM4E B2RXH2 8/20 0.53
▸ MAPT P10636 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ ACHE P22303 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL4839910 0.91 TP53 (0.55) MEN1KMT2AACHE
SCHEMBL4842118 0.86 ACHE (0.66) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL4832532 0.86 ACHE (0.58) ALDH1A1KDM4EMAPTTSHRACHE
SCHEMBL4835920 0.83 ACHE (0.55) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL4837431 0.81 SIGMAR1 (0.57) MEN1KMT2AALDH1A1ACHE
SCHEMBL6375377 0.80 POLB (0.62) ACHE
SCHEMBL6347249 0.80 ACHE (0.47) MEN1KMT2AALDH1A1MAPTACHE
Hydrochloric Acid SCHEMBL4840396 0.80 POLB (0.61) ACHE
Hydrochloric Acid SCHEMBL6295711 0.80 POLB (0.61) ACHE
SCHEMBL6214907 0.79 ACHE (0.50) MEN1KMT2AALDH1A1KDM4EMAPT

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 14 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-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-1192135-A2 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2002-04-03 — — EP disclosed
EP-1192132-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 MEN1 3582/4885KMT2A 2452/4885ALDH1A1 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 MEN1 3229/4885KMT2A 2126/4885ALDH1A1 2527/4885
US-20040142963-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 MEN1 1959/4885KMT2A 3308/4885ALDH1A1 2261/4885
US-20040176363-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 MEN1 1959/4885KMT2A 3308/4885ALDH1A1 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.

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