SCHEMBL6897826

SCHEMBL6897826

CC(=O)SCCN(CCC1CCCCC1)C(=O)N[C@H](C)C(=O)N1CCN(C)CC1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.36
CHRM3 P20309 3/20 0.33
SIGMAR1 Q99720 2/20 0.32
MCHR1 Q99705 3/20 0.32
MBOAT4 Q96T53 1/20 0.32
EPHX2 P34913 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PDE9A O76083 1/20 0.31
HSD11B1 P28845 1/20 0.31
LMNA P02545 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL6898851 1.00 TP53 (0.36) TP53CHRM3SIGMAR1MCHR1MBOAT4
SCHEMBL6897959 1.00 TP53 (0.36) TP53CHRM3SIGMAR1MCHR1MBOAT4
SCHEMBL7664089 0.99 TP53 (0.35) TP53CHRM3SIGMAR1MCHR1MBOAT4
SCHEMBL6897336 0.99 TP53 (0.34) TP53CHRM3SIGMAR1MCHR1MBOAT4
SCHEMBL7657328 0.98 TP53 (0.34) TP53CHRM3SIGMAR1MCHR1MBOAT4
SCHEMBL6895866 0.98 TP53 (0.34) TP53CHRM3SIGMAR1MCHR1MBOAT4
SCHEMBL6891091 0.98 TP53 (0.33) TP53CHRM3SIGMAR1MCHR1MBOAT4
SCHEMBL6897036 0.97 LMNA (0.36) TP53CHRM3SIGMAR1MCHR1MBOAT4
Cadaverine Tartrate SCHEMBL6891356 0.95 TP53 (0.33) TP53CHRM3SIGMAR1MCHR1KDM4E
Cadaverine Tartrate SCHEMBL6891161 0.95 TP53 (0.33) TP53CHRM3SIGMAR1MCHR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6730784-B2 AS THERAPEUTIC AGENTS FOR AUTOIMMUNE DISEASES SUCH AS RHEUMATOID ARTHRITIS SANTEN PHARMACEUTICAL CO., LTD. (JP) 2004-05-04 US disclosed
US-20020198376-A1 Novel urea derivatives SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-12-26 US disclosed
US-6492370-B1 Urea derivatives and pharmaceutical compositions thereof SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-12-10 US disclosed
EP-1072591-A1 NOVEL UREA DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 2001-01-31 EP 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-20020198376-A1 Novel urea derivatives TNF, CTH, CFH TP53 2310/4885CHRM3 277/4885SIGMAR1 26/4885

“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.