SCHEMBL4842801

SCHEMBL4842801

O=C(CN(C(=O)c1ccc2cc[nH]c2c1)c1ccccc1Cl)N1CCN(CCn2ccnc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.42
NAMPT P43490 5/20 0.40
SYK P43405 1/20 0.38
GHSR Q92847 5/20 0.36
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 3/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 2/20 0.35
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34

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
SCHEMBL4844243 0.89 MAPK14 (0.44) MAPK14NAMPTSYKGHSRKDM4E
SCHEMBL4837480 0.86 MAPK14 (0.45) MAPK14GHSRKDM4EALDH1A1MAPT
SCHEMBL4839901 0.82 MAPK14 (0.41) MAPK14GHSRKDM4EALDH1A1MAPT
SCHEMBL4837049 0.81 MAPK14 (0.42) MAPK14GHSRKDM4EALDH1A1MAPT
SCHEMBL6300587 0.81 MAPK14 (0.43) MAPK14GHSRKDM4EALDH1A1MAPT
SCHEMBL6345731 0.80 MAPK14 (0.41) MAPK14GHSRKDM4ESMN1; SMN2POLB
SCHEMBL6354909 0.78 EPHX2 (0.41) MAPK14GHSRKDM4EALDH1A1MAPT
SCHEMBL4841765 0.78 F10 (0.53) MAPK14GHSRKDM4EALDH1A1MAPT
SCHEMBL6344241 0.77 KDM4E (0.43) MAPK14SYKGHSRKDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL6353223 0.77 EPHX2 (0.41) MAPK14GHSRKDM4EALDH1A1MAPT

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 7 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
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 4056/4885SYK 3337/4885
US-20040142963-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 MAPK14 3364/4885NAMPT 2193/4885SYK 3605/4885
US-20040176363-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 MAPK14 3364/4885NAMPT 2193/4885SYK 3605/4885

“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.