SCHEMBL4844243

SCHEMBL4844243

O=C(CN(C(=O)c1ccc2cc[nH]c2c1)c1ccccc1)N1CCN(CCn2ccnc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.44
NAMPT P43490 4/20 0.43
GHSR Q92847 2/20 0.41
ALDH1A1 P00352 3/20 0.40
MAPT P10636 3/20 0.40
KDM4E B2RXH2 3/20 0.40
SYK P43405 1/20 0.40
FAAH O00519 1/20 0.37
HSD17B10 Q99714 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
HTR1A P08908 1/20 0.36
DRD4 P21917 1/20 0.36
BRD4 O60885 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
SCHEMBL4842801 0.89 MAPK14 (0.42) MAPK14NAMPTGHSRALDH1A1MAPT
SCHEMBL6191786 0.86 MAPK14 (0.45) MAPK14GHSRALDH1A1MAPTKDM4E
SCHEMBL4832427 0.85 MAPK14 (0.48) MAPK14GHSRALDH1A1MAPTKDM4E
Hydrochloric Acid SCHEMBL4836673 0.84 MAPK14 (0.47) MAPK14GHSRALDH1A1MAPTKDM4E
SCHEMBL4841068 0.83 MAPK14 (0.48) MAPK14GHSRALDH1A1MAPTKDM4E
SCHEMBL4832436 0.82 THRB (0.45) MAPK14GHSRALDH1A1MAPTKDM4E
SCHEMBL4832429 0.82 MAPK14 (0.43) MAPK14GHSRALDH1A1MAPTKDM4E
SCHEMBL4840345 0.81 MAPK14 (0.44) MAPK14GHSRALDH1A1MAPTKDM4E
SCHEMBL4836954 0.81 MAPK14 (0.42) MAPK14GHSRALDH1A1MAPTKDM4E
Hydrochloric Acid SCHEMBL4840760 0.80 MAPK14 (0.41) MAPK14GHSRALDH1A1MAPTKDM4E

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 8 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

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 4436/4885NAMPT 4056/4885GHSR 1178/4885
US-20040142963-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 MAPK14 3364/4885NAMPT 2193/4885GHSR 1554/4885
US-20040176363-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 MAPK14 3364/4885NAMPT 2193/4885GHSR 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.