SCHEMBL6895466

SCHEMBL6895466

CC(C)CCN(CCO)C(=O)N[C@@H](CC(C)C)C(=O)N1CCN(C)CC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 9/20 0.39
MMP1 P03956 1/20 0.38
MMP3 P08254 1/20 0.38
MMP9 P14780 1/20 0.38
HTR1A P08908 1/20 0.35
CTSK P43235 5/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GAA P10253 1/20 0.33

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
SCHEMBL27570935 1.00 CACNA1B (0.39) CACNA1BMMP1MMP3MMP9HTR1A
SCHEMBL27559931 0.85 CACNA1B (0.38) CACNA1BMMP1MMP3MMP9HTR1A
SCHEMBL7656424 0.85 CACNA1B (0.38) CACNA1BMMP1MMP3MMP9HTR1A
SCHEMBL6896882 0.83 HSD17B10 (0.46) CACNA1BMMP1MMP3MMP9CTSK
SCHEMBL27538255 0.83 HSD17B10 (0.46) CACNA1BMMP1MMP3MMP9CTSK
SCHEMBL6895470 0.79 HDAC3 (0.33) HTR1A
SCHEMBL27560039 0.78 ALDH1A1 (0.49) ALDH1A1
SCHEMBL6894914 0.78 ALDH1A1 (0.49) ALDH1A1
SCHEMBL6890753 0.72 HTR1A (0.36) HTR1AKDM4EALDH1A1HSD17B10
SCHEMBL6897368 0.71 HSD17B10 (0.51) ALDH1A1HSD17B10

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 5 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
CN-1299344-A Novel urea derivatives SANTEN PHARCEUMATICAL CO LTD (JP) 2001-06-13 CN 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 CACNA1B 4556/4885MMP1 3883/4885MMP3 4452/4885

“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.