SCHEMBL6344171

SCHEMBL6344171

O=C(CN(C(=O)c1ccc2cc[nH]c2c1)c1ccccc1)N1CCC(Nc2ccccn2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
POLB P06746 1/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NOS2 P35228 2/20 0.44
SYK P43405 1/20 0.42
GHSR Q92847 5/20 0.41
MAPK14 Q16539 2/20 0.41
F10 P00742 2/20 0.40
KDM5A P29375 2/20 0.40
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
SMYD3 Q9H7B4 1/20 0.38
JUN P05412 1/20 0.37
CDK2 P24941 1/20 0.37
MAPK8 P45983 1/20 0.37
MAPK9 P45984 1/20 0.37
MAPK10 P53779 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37

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
Hydrochloric Acid SCHEMBL6341867 0.99 KDM4E (0.45) KDM4EPOLBMAPK1SMN1; SMN2NOS2
SCHEMBL6344241 0.89 KDM4E (0.43) KDM4EPOLBMAPK1SMN1; SMN2NOS2
SCHEMBL6341500 0.88 MAPK14 (0.43) KDM4EPOLBMAPK1SMN1; SMN2GHSR
Hydrochloric Acid SCHEMBL6354832 0.87 MAPK14 (0.42) KDM4EPOLBMAPK1SMN1; SMN2GHSR
SCHEMBL6354632 0.86 SIGLEC9 (0.44) KDM4EPOLBMAPK1SMN1; SMN2SYK
SCHEMBL6347242 0.85 KDM4E (0.43) KDM4EPOLBMAPK1SMN1; SMN2GHSR
SCHEMBL6422422 0.82 GHSR (0.44) KDM4EPOLBMAPK1SMN1; SMN2GHSR
SCHEMBL4832436 0.81 THRB (0.45) KDM4EPOLBMAPK1SMN1; SMN2GHSR
Trifluoroacetic Acid SCHEMBL6978612 0.81 KDM4E (0.40) KDM4EPOLBMAPK1SMN1; SMN2GHSR
SCHEMBL6341778 0.80 EPHX2 (0.42) KDM4EPOLBMAPK1SMN1; SMN2GHSR

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6878725-B2 Serine protease inhibitors ELI LILLY AND COMPANY (US) 2005-04-12 US disclosed
US-20040242656-A1 Serine protease inhibitors LIEBESCHUETZ JOHN WALTER (GB) 2004-12-02 US disclosed
EP-1289950-B1 SERINE PROTEASE INHIBITORS LILLY CO ELI (US) 2004-09-08 EP disclosed
US-20030078438-A1 Serine protease inhibitors ELI LILLY AND COMPANY 2003-04-24 US disclosed
EP-1289950-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-03-12 EP disclosed
WO-2001096296-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 (2 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-20030078438-A1 Serine protease inhibitors HPN, LPXN, PRSS1 KDM4E 3167/4885POLB 4589/4885MAPK1 3481/4885
US-20040242656-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 KDM4E 3503/4885POLB 4543/4885MAPK1 1881/4885

“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.