SCHEMBL6897036

SCHEMBL6897036

CC(=O)SCCN(CCC1CCCCC1)C(=O)N[C@@H](C)C(=O)N1CCCN(C)CC1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.34
CHRM3 P20309 4/20 0.34
SIGMAR1 Q99720 3/20 0.34
HTT P42858 1/20 0.32
CNR2 P34972 1/20 0.31
MCHR1 Q99705 2/20 0.30
CHRM1 P11229 1/20 0.30
MBOAT4 Q96T53 1/20 0.30
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP3 P08254 1/20 0.30
MMP8 P22894 1/20 0.30
MMP13 P45452 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
SCHEMBL6897826 0.97 TP53 (0.36) LMNATP53CHRM3SIGMAR1MCHR1
SCHEMBL6897959 0.97 TP53 (0.36) LMNATP53CHRM3SIGMAR1MCHR1
SCHEMBL6898851 0.97 TP53 (0.36) LMNATP53CHRM3SIGMAR1MCHR1
SCHEMBL7664089 0.96 TP53 (0.35) TP53CHRM3SIGMAR1MCHR1MBOAT4
SCHEMBL6897336 0.96 TP53 (0.34) TP53CHRM3SIGMAR1MCHR1MBOAT4
SCHEMBL6895866 0.95 TP53 (0.34) TP53CHRM3SIGMAR1MCHR1MBOAT4
SCHEMBL7657328 0.95 TP53 (0.34) TP53CHRM3SIGMAR1MCHR1MBOAT4
SCHEMBL6891091 0.95 TP53 (0.33) TP53CHRM3SIGMAR1MCHR1MBOAT4
Cadaverine Tartrate SCHEMBL6891356 0.93 TP53 (0.33) TP53CHRM3SIGMAR1MCHR1
Cadaverine Tartrate SCHEMBL6891161 0.93 TP53 (0.33) TP53CHRM3SIGMAR1MCHR1

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 LMNA 4204/4885TP53 2310/4885CHRM3 277/4885

“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.