SCHEMBL5868050

SCHEMBL5868050

O=C(CN(C(=O)OCc1ccccc1)c1ccccc1)NCCC1CCN(C2CCCC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 3/20 0.44
SIGMAR1 Q99720 2/20 0.42
KCNH2 Q12809 2/20 0.41
TPSAB1 Q15661 1/20 0.41
TPSD1 Q9BZJ3 1/20 0.41
TPSG1 Q9NRR2 1/20 0.41
HRH3 Q9Y5N1 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ACHE P22303 2/20 0.41
CHRM2 P08172 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
LTA4H P09960 1/20 0.40
EPHX2 P34913 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA2C P18825 1/20 0.40
HRH2 P25021 1/20 0.40
HRH1 P35367 1/20 0.40

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
SCHEMBL5868070 0.90 SIGMAR1 (0.44) CHRM4SIGMAR1KCNH2TPSAB1TPSD1
SCHEMBL5867974 0.87 CHRM4 (0.46) CHRM4KCNH2TPSAB1TPSD1TPSG1
SCHEMBL5868015 0.85 CHRM4 (0.48) CHRM4KCNH2TPSAB1TPSD1TPSG1
SCHEMBL5868246 0.83 ITGB3 (0.44) CHRM4KCNH2MEN1KMT2ACHRM2
SCHEMBL5868106 0.83 KDM4E (0.49) CHRM4TPSAB1TPSD1TPSG1MEN1
SCHEMBL5868096 0.82 LTA4H (0.41) CHRM4SIGMAR1TPSAB1TPSD1TPSG1
SCHEMBL5868171 0.77 SIGMAR1 (0.44) CHRM4SIGMAR1KCNH2HRH3MEN1
SCHEMBL5867967 0.75 OPRM1 (0.44) KCNH2HRH3ACHECHRM2CHRM5
SCHEMBL5868190 0.74 KDM4E (0.47) SIGMAR1ACHECHRM2
SCHEMBL5867867 0.74 KDM4E (0.57)

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-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-20030109706-A1 Serine pretease inhibitors ELI LILLY AND COMPANY 2003-06-12 US disclosed
EP-1289954-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-03-12 EP disclosed
WO-2001096303-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 (1 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 CHRM4 4583/4885SIGMAR1 3447/4885KCNH2 3828/4885

“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.