SCHEMBL6896882

SCHEMBL6896882

CC(C)C[C@H](NC(=O)N(CCO)CCc1ccccc1)C(=O)N1CCN(C)CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.46
MMP1 P03956 1/20 0.44
MMP3 P08254 1/20 0.44
MMP9 P14780 1/20 0.44
CHRM1 P11229 3/20 0.43
GAA P10253 1/20 0.42
CACNA1B Q00975 4/20 0.42
LPAR1 Q92633 1/20 0.42
CCR1 P32246 2/20 0.41
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CTSK P43235 2/20 0.40
MAPK1 P28482 1/20 0.40
CYP3A4 P08684 1/20 0.39
UGCG Q16739 1/20 0.39

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
SCHEMBL27538255 1.00 HSD17B10 (0.46) HSD17B10MMP1MMP3MMP9CHRM1
SCHEMBL6897368 0.90 HSD17B10 (0.51) HSD17B10CHRM1ALDH1A1CYP3A4UGCG
SCHEMBL27560030 0.90 HSD17B10 (0.51) HSD17B10CHRM1ALDH1A1CYP3A4UGCG
SCHEMBL6895349 0.90 HSD17B10 (0.51) HSD17B10CHRM1ALDH1A1CYP3A4UGCG
SCHEMBL28747231 0.88 HSD17B10 (0.44) HSD17B10CHRM1KDM4EALDH1A1CYP3A4
SCHEMBL6889347 0.88 HSD17B10 (0.44) HSD17B10CHRM1KDM4EALDH1A1CYP3A4
SCHEMBL6897614 0.88 HSD17B10 (0.43) HSD17B10MMP1MMP3MMP9CHRM1
SCHEMBL27538348 0.88 HSD17B10 (0.43) HSD17B10MMP1MMP3MMP9CHRM1
SCHEMBL6898897 0.85 CCKBR (0.42) HSD17B10CHRM1KDM4EALDH1A1CYP3A4
SCHEMBL6897866 0.85 CYP3A4 (0.47) HSD17B10CHRM1ALDH1A1CYP3A4UGCG

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 HSD17B10 1909/4885MMP1 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.