SCHEMBL4832498

SCHEMBL4832498

CN1CCC(N2CCN(C(=O)CNc3ccccc3S(C)(=O)=O)CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.45
ACHE P22303 1/20 0.44
L3MBTL3 Q96JM7 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM1A O60341 5/20 0.43
MAOB P27338 5/20 0.43
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 2/20 0.42
MAOA P21397 3/20 0.41
KRAS P01116 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
USP5 P45974 1/20 0.40
INSR P06213 1/20 0.39
IGF1R P08069 1/20 0.39
ALK Q9UM73 1/20 0.39
PTGS2 P35354 1/20 0.39
KCNH2 Q12809 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL4832356 0.84 KRAS (0.51) ACHEL3MBTL3L3MBTL1KDM1AMAOB
SCHEMBL4844807 0.82 KDM4E (0.52) ACHEL3MBTL3L3MBTL1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL4832494 0.81 KDM4E (0.51) ACHEL3MBTL3L3MBTL1KDM4EALDH1A1
SCHEMBL4832287 0.81 SCD (0.50) ACHEL3MBTL3L3MBTL1KDM1AKDM4E
Hydrochloric Acid SCHEMBL4832679 0.80 ACHE (0.54) ACHEL3MBTL3L3MBTL1KDM1AMAOB
SCHEMBL6217208 0.77 ACHE (0.59) ACHEL3MBTL3L3MBTL1KDM1AMAOB
SCHEMBL4845033 0.77 HPGD (0.44) ACHEL3MBTL3L3MBTL1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL4832370 0.77 MAPT (0.53) ACHEL3MBTL3L3MBTL1
SCHEMBL14325633 0.74 L3MBTL3 (0.55) ACHEL3MBTL3L3MBTL1ALDH1A1USP5
SCHEMBL4837319 0.72 ACHE (0.42) ACHEL3MBTL3L3MBTL1KDM4EALDH1A1

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-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-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 (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-20030055246-A1 Serine protease inhibitors CTRL, CPN1, LOXL1 METAP2 96/4885ACHE 3190/4885L3MBTL3 591/4885
US-20040142963-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 METAP2 346/4885ACHE 2174/4885L3MBTL3 1408/4885
US-20040176363-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 METAP2 346/4885ACHE 2174/4885L3MBTL3 1408/4885

“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.