SCHEMBL6890742

SCHEMBL6890742

CC(=O)SCCN(CCc1ccccc1)C(=O)N[C@H](C(=O)N1CCN(C)CC1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 7/20 0.46
HSD17B10 Q99714 1/20 0.42
ALDH1A1 P00352 2/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
CTSL P07711 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CHRM3 P20309 5/20 0.38
TSHR P16473 1/20 0.37
EP300 Q09472 1/20 0.36
F10 P00742 1/20 0.36

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
SCHEMBL27538231 1.00 CHRM1 (0.46) CHRM1HSD17B10ALDH1A1TP53CYP3A4
SCHEMBL6891371 0.89 HSD17B10 (0.46) CHRM1HSD17B10ALDH1A1TP53CYP3A4
SCHEMBL27538415 0.89 HSD17B10 (0.46) CHRM1HSD17B10ALDH1A1TP53CYP3A4
SCHEMBL6895946 0.89 HSD17B10 (0.46) CHRM1HSD17B10ALDH1A1TP53CYP3A4
SCHEMBL6895691 0.87 HSD17B10 (0.42) CHRM1HSD17B10ALDH1A1CYP3A4CTSL
SCHEMBL6891320 0.87 HSD17B10 (0.44) CHRM1HSD17B10ALDH1A1CTSLKDM4E
SCHEMBL6895694 0.87 HSD17B10 (0.42) CHRM1HSD17B10ALDH1A1CYP3A4CTSL
SCHEMBL6896682 0.87 HSD17B10 (0.42) CHRM1HSD17B10ALDH1A1CYP3A4CTSL
SCHEMBL28747238 0.87 HSD17B10 (0.44) CHRM1HSD17B10ALDH1A1CTSLKDM4E
SCHEMBL6895008 0.87 HSD17B10 (0.42) CHRM1HSD17B10ALDH1A1CYP3A4CTSL

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 CHRM1 340/4885HSD17B10 1909/4885ALDH1A1 1309/4885

“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.