SCHEMBL4840561

SCHEMBL4840561

Cc1cc(CCN2CCN(C(=O)CN(C(=O)c3ccc4cc[nH]c4c3)c3ccccc3)CC2)ccn1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.44
FAAH O00519 1/20 0.39
GHSR Q92847 5/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HRH4 Q9H3N8 1/20 0.37
POLB P06746 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
DRD2 P14416 2/20 0.37
DRD3 P35462 2/20 0.37
HTR1A P08908 1/20 0.36
DRD4 P21917 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36

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
SCHEMBL4832427 0.89 MAPK14 (0.48) MAPK14FAAHGHSRKDM4EALDH1A1
Hydrochloric Acid SCHEMBL4836673 0.89 MAPK14 (0.47) MAPK14FAAHGHSRKDM4EALDH1A1
SCHEMBL4839846 0.88 MAPK14 (0.43) MAPK14FAAHGHSRKDM4EALDH1A1
Hydrochloric Acid SCHEMBL4840086 0.88 MAPK14 (0.42) MAPK14FAAHGHSRKDM4EALDH1A1
SCHEMBL4841068 0.85 MAPK14 (0.48) MAPK14FAAHGHSRKDM4EALDH1A1
SCHEMBL4832436 0.85 THRB (0.45) MAPK14FAAHGHSRKDM4EALDH1A1
Hydrochloric Acid SCHEMBL4839992 0.83 MAPK14 (0.45) MAPK14FAAHGHSRKDM4EALDH1A1
SCHEMBL4832429 0.83 MAPK14 (0.43) MAPK14FAAHGHSRKDM4EALDH1A1
Hydrochloric Acid SCHEMBL4832589 0.82 MAPK14 (0.42) MAPK14FAAHGHSRKDM4EALDH1A1
SCHEMBL4840345 0.82 MAPK14 (0.44) MAPK14FAAHGHSRKDM4EALDH1A1

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 MAPK14 4436/4885FAAH 810/4885GHSR 1178/4885
US-20040142963-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 MAPK14 3364/4885FAAH 563/4885GHSR 1554/4885
US-20040176363-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 MAPK14 3364/4885FAAH 563/4885GHSR 1554/4885

“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.