SCHEMBL6895514

SCHEMBL6895514

CC(=O)SCCN(CCC1CC1)C(=O)N[C@@H](C)C(=O)N1CCN(C)CC1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 3/20 0.33
HTR1A P08908 1/20 0.32
MCHR1 Q99705 3/20 0.31
TP53 P04637 1/20 0.31
DRD2 P14416 1/20 0.31
ITGB3 P05106 1/20 0.30
ITGA2B P08514 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
SCHEMBL6891091 0.97 TP53 (0.33) MBOAT4HTR1AMCHR1TP53HRH3
SCHEMBL6897336 0.96 TP53 (0.34) MBOAT4HTR1AMCHR1TP53HRH3
SCHEMBL6897959 0.95 TP53 (0.36) MBOAT4MCHR1TP53HRH3
SCHEMBL6898851 0.95 TP53 (0.36) MBOAT4MCHR1TP53HRH3
SCHEMBL6895866 0.95 TP53 (0.34) MBOAT4HTR1AMCHR1TP53HRH3
SCHEMBL7657328 0.95 TP53 (0.34) MBOAT4HTR1AMCHR1TP53HRH3
SCHEMBL6897826 0.95 TP53 (0.36) MBOAT4MCHR1TP53HRH3
SCHEMBL7664089 0.94 TP53 (0.35) MBOAT4MCHR1TP53
SCHEMBL6897036 0.92 LMNA (0.36) MBOAT4MCHR1TP53
Cadaverine Tartrate SCHEMBL6895714 0.91 TP53 (0.32) MBOAT4MCHR1TP53

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 MBOAT4 1816/4885HTR1A 2802/4885MCHR1 1236/4885

“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.