SCHEMBL6354632

SCHEMBL6354632

O=C(CN(C(=O)c1ccc2cc[nH]c2c1)c1ccccc1)N1CCC(Nc2cccnc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGLEC9 Q9Y336 2/20 0.44
GHSR Q92847 4/20 0.41
EPHX2 P34913 1/20 0.40
MAPK14 Q16539 1/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
F10 P00742 1/20 0.39
FAAH O00519 1/20 0.38
SMYD3 Q9H7B4 1/20 0.37
JAK3 P52333 1/20 0.36
SYK P43405 1/20 0.36
JUN P05412 1/20 0.36
CDK2 P24941 1/20 0.36
MAPK8 P45983 1/20 0.36
MAPK9 P45984 1/20 0.36
MAPK10 P53779 1/20 0.36
DRD4 P21917 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
SCHEMBL6341500 0.91 MAPK14 (0.43) GHSRMAPK14KDM4EPOLBMAPK1
Hydrochloric Acid SCHEMBL6354832 0.90 MAPK14 (0.42) GHSRMAPK14KDM4EPOLBMAPK1
Hydrochloric Acid SCHEMBL6344841 0.89 SIGLEC9 (0.42) SIGLEC9GHSREPHX2MAPK14KDM4E
SCHEMBL6352461 0.86 JUN (0.42) SIGLEC9EPHX2F10JAK3JUN
SCHEMBL6345615 0.86 SIGLEC9 (0.47) SIGLEC9EPHX2F10JUNCDK2
SCHEMBL6344171 0.86 KDM4E (0.45) GHSRMAPK14KDM4EPOLBMAPK1
Hydrochloric Acid SCHEMBL6341867 0.85 KDM4E (0.45) GHSRMAPK14KDM4EPOLBMAPK1
SCHEMBL6344302 0.85 EPHX2 (0.43) GHSREPHX2MAPK14KDM4EPOLB
SCHEMBL6346829 0.82 SIGLEC9 (0.51) SIGLEC9EPHX2POLB
SCHEMBL6344940 0.82 SPR (0.43) GHSREPHX2MAPK14KDM4EPOLB

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 SIGLEC9 667/4885GHSR 1833/4885EPHX2 1259/4885
US-20040242656-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 SIGLEC9 925/4885GHSR 1554/4885EPHX2 1576/4885

“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.