SCHEMBL4840176

SCHEMBL4840176

COc1ccc(C(=O)N(CC(=O)N2CCN(CC3CCCCC3)CC2)c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.53
CHRM3 P20309 2/20 0.46
PTGIR P43119 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
POLB P06746 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KDM2B Q8NHM5 2/20 0.44
MAPT P10636 1/20 0.43
CYP2D6 P10635 1/20 0.43
CHRM2 P08172 1/20 0.43
CCR2 P41597 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
BACE1 P56817 1/20 0.42
TSHR P16473 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
SCHEMBL4841732 0.91 ACHE (0.55) ACHECHRM3PTGIRMEN1KMT2A
SCHEMBL6376440 0.91 ACHE (0.56) ACHECHRM3PTGIRMEN1KMT2A
Hydrochloric Acid SCHEMBL6372221 0.91 ACHE (0.54) ACHECHRM3PTGIRMEN1KMT2A
SCHEMBL4836347 0.90 ACHE (0.57) ACHECHRM3PTGIRMEN1KMT2A
Hydrochloric Acid SCHEMBL4842154 0.89 ACHE (0.56) ACHECHRM3PTGIRMEN1KMT2A
Hydrochloric Acid SCHEMBL6376437 0.88 ACHE (0.51) ACHEPTGIRMEN1KMT2APOLB
Hydrochloric Acid SCHEMBL4841747 0.88 ACHE (0.51) ACHEPTGIRMEN1KMT2APOLB
Hydrochloric Acid SCHEMBL4839092 0.88 ACHE (0.55) ACHECHRM3PTGIRMEN1KMT2A
SCHEMBL4837336 0.87 ACHE (0.52) ACHEPTGIRMEN1KMT2APOLB
SCHEMBL4840307 0.86 ALDH1A1 (0.57) ACHECHRM3KMT2APOLBHSD17B10

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 16 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-1289972-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-03-12 EP 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-2001096323-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2001-12-20 WO 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 3190/4885CHRM3 3980/4885PTGIR 2205/4885
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 1271/4885CHRM3 2679/4885PTGIR 325/4885
US-20040142963-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 ACHE 2174/4885CHRM3 4603/4885PTGIR 1232/4885
US-20040176363-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 ACHE 2174/4885CHRM3 4603/4885PTGIR 1232/4885

“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.