SCHEMBL6893721

SCHEMBL6893721

CN1CCN(C(=O)[C@H](CCO)NC(=O)N(CCS)CCc2ccccc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.43
CHRM1 P11229 5/20 0.42
CTSL P07711 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
UGCG Q16739 3/20 0.39
CYP3A4 P08684 1/20 0.39
CCKBR P32239 2/20 0.38
CTSB P07858 1/20 0.38
CTSS P25774 1/20 0.38
MMP1 P03956 1/20 0.37
MMP3 P08254 1/20 0.37
MMP9 P14780 1/20 0.37
KDM1A O60341 1/20 0.37

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
SCHEMBL27541770 1.00 HSD17B10 (0.43) HSD17B10CHRM1CTSLKDM4EALDH1A1
SCHEMBL6897330 0.92 HSD17B10 (0.46) HSD17B10CHRM1CTSLKDM4EALDH1A1
SCHEMBL6893728 0.90 CCR1 (0.46) HSD17B10CHRM1CTSLKDM4EALDH1A1
SCHEMBL6897188 0.90 HSD17B10 (0.50) HSD17B10CHRM1CTSLALDH1A1UGCG
SCHEMBL6899395 0.86 HSD17B10 (0.49) HSD17B10CHRM1CTSLKDM4EALDH1A1
SCHEMBL27541920 0.86 HSD17B10 (0.49) HSD17B10CHRM1CTSLKDM4EALDH1A1
Fumaric Acid SCHEMBL6897338 0.86 CTSL (0.46) HSD17B10CHRM1CTSLALDH1A1UGCG
Fumaric Acid SCHEMBL27541785 0.86 CTSL (0.46) HSD17B10CHRM1CTSLALDH1A1UGCG
Fumaric Acid SCHEMBL6897339 0.86 CTSL (0.46) HSD17B10CHRM1CTSLALDH1A1UGCG
SCHEMBL6895349 0.85 HSD17B10 (0.51) HSD17B10CHRM1CTSLALDH1A1UGCG

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 1909/4885CHRM1 340/4885CTSL 869/4885

“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.