SCHEMBL6891091

SCHEMBL6891091

CC(=O)SCCN(CCC1CCC1)C(=O)N[C@@H](C)C(=O)N1CCN(C)CC1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.33
MCHR1 Q99705 3/20 0.33
MBOAT4 Q96T53 2/20 0.32
HTR1A P08908 1/20 0.32
HDAC3 O15379 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
PREP P48147 1/20 0.31
FAP Q12884 1/20 0.31
SIGMAR1 Q99720 1/20 0.30
CHRM3 P20309 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
SCHEMBL6897336 0.99 TP53 (0.34) TP53MCHR1MBOAT4HTR1AHDAC3
SCHEMBL6895866 0.98 TP53 (0.34) TP53MCHR1MBOAT4HTR1AHDAC3
SCHEMBL6897959 0.98 TP53 (0.36) TP53MCHR1MBOAT4HRH3SIGMAR1
SCHEMBL6897826 0.98 TP53 (0.36) TP53MCHR1MBOAT4HRH3SIGMAR1
SCHEMBL7657328 0.98 TP53 (0.34) TP53MCHR1MBOAT4HTR1AHDAC3
SCHEMBL6898851 0.98 TP53 (0.36) TP53MCHR1MBOAT4HRH3SIGMAR1
SCHEMBL7664089 0.97 TP53 (0.35) TP53MCHR1MBOAT4SIGMAR1CHRM3
SCHEMBL6895514 0.97 MBOAT4 (0.33) TP53MCHR1MBOAT4HTR1AHRH3
SCHEMBL6897036 0.95 LMNA (0.36) TP53MCHR1MBOAT4SIGMAR1CHRM3
Cadaverine Tartrate SCHEMBL6895714 0.94 TP53 (0.32) TP53MCHR1MBOAT4CHRM3

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 2310/4885MCHR1 1236/4885MBOAT4 1816/4885

“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.