SCHEMBL5868098

SCHEMBL5868098

CCC(CC)N1CCC(CNC(=O)CN(C(=O)c2ccc3cc[nH]c3c2)c2ccccc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.40
SMYD3 Q9H7B4 2/20 0.38
OPRM1 P35372 4/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
GHSR Q92847 1/20 0.37
GLI1 P08151 1/20 0.37
GLI2 P10070 1/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
MAPK14 Q16539 1/20 0.36
HPGD P15428 1/20 0.36
ALOX12 P18054 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NR4A2 P43354 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
SCHEMBL5867876 0.92 F10 (0.41) F10SMYD3OPRM1GHSRKDM4E
SCHEMBL5868330 0.85 ACHE (0.52) MAPK14
SCHEMBL5868023 0.85 KDM4E (0.48) F10SMYD3GHSRKDM4EALDH1A1
SCHEMBL5868044 0.84 SLC6A4 (0.44) SMYD3TAS1R3TAS1R1GHSRKDM4E
SCHEMBL5868145 0.84 ALDH1A1 (0.50) F10SMYD3OPRM1OPRD1OPRK1
SCHEMBL5868174 0.83 F10 (0.41) F10SMYD3GHSRKDM4EALDH1A1
SCHEMBL5868156 0.83 ACHE (0.49) SMYD3KDM4EALDH1A1MAPTMAPK14
SCHEMBL5868205 0.83 KDM4E (0.53) F10KDM4E
SCHEMBL5868059 0.82 ACHE (0.51) OPRM1KDM4EALDH1A1MAPTHPGD
SCHEMBL5868257 0.79 SMYD3 (0.48) F10SMYD3GHSRKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7053078-B2 Serine protease inhibitors ELI LILLY AND COMPANY (US) 2006-05-30 US disclosed
EP-1289954-B1 SERINE PROTEASE INHIBITORS LILLY CO ELI (US) 2005-09-14 EP disclosed
US-6900196-B2 Serine protease inhibitors ELI LILLY AND COMPANY (US) 2005-05-31 US disclosed
US-20040259868-A1 Serine protease inhibitors LIEBESCHUETZ JOHN WALTER (GB) 2004-12-23 US disclosed
US-20030109706-A1 Serine pretease inhibitors ELI LILLY AND COMPANY 2003-06-12 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 (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-20030109706-A1 Serine pretease inhibitors PRSS1, SERPINE1, HPN F10 68/4885SMYD3 3196/4885OPRM1 2707/4885
US-20040259868-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 F10 60/4885SMYD3 2366/4885OPRM1 2692/4885

“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.