SCHEMBL4835864

SCHEMBL4835864

Cc1c[nH]c2cc(C(=O)N(CC(=O)N3CCN(C4CCN(C)CC4)CC3)c3ccccc3)ccc12

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.47
ACACB O00763 1/20 0.40
ACACA Q13085 1/20 0.40
HRH3 Q9Y5N1 3/20 0.40
L3MBTL3 Q96JM7 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ACHE P22303 1/20 0.38
OXTR P30559 1/20 0.37
GPR183 P32249 1/20 0.37
ALDH1A1 P00352 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KDM4E B2RXH2 1/20 0.35
BDKRB1 P46663 1/20 0.35
TLR9 Q9NR96 1/20 0.35
TLR7 Q9NYK1 1/20 0.35

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
SCHEMBL4843911 0.91 F10 (0.48) F10HRH3L3MBTL3L3MBTL1ACHE
SCHEMBL6215250 0.87 F10 (0.48) F10HRH3L3MBTL3L3MBTL1ACHE
SCHEMBL3000428 0.85 F10 (0.58) F10ACACBACACAL3MBTL3L3MBTL1
Hydrochloric Acid SCHEMBL4840239 0.84 F10 (0.57) F10ACACBACACAL3MBTL3L3MBTL1
Hydrochloric Acid SCHEMBL4841878 0.84 F10 (0.57) F10ACACBACACAL3MBTL3L3MBTL1
SCHEMBL5496127 0.83 SMN1; SMN2 (0.47) L3MBTL3L3MBTL1ACHECYP3A4CYP2C9
Hydrochloric Acid SCHEMBL4840285 0.82 F10 (0.39) F10ACACBACACAHRH3L3MBTL3
SCHEMBL6215912 0.82 F10 (0.53) F10ACACBACACAL3MBTL3L3MBTL1
Fumaric Acid SCHEMBL4840016 0.82 F10 (0.54) F10ACACBACACAL3MBTL3L3MBTL1
Hydrochloric Acid SCHEMBL4844439 0.81 CACNA2D1 (0.46) F10HRH3ACHEGPR183ALDH1A1

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 12 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
WO-2001096323-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 (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 F10 992/4885ACACB 2508/4885ACACA 1372/4885
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 F10 219/4885ACACB 1761/4885ACACA 1806/4885
US-20040142963-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 F10 60/4885ACACB 2492/4885ACACA 1789/4885
US-20040176363-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 F10 60/4885ACACB 2492/4885ACACA 1789/4885

“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.