SCHEMBL6897496

SCHEMBL6897496

CC(=O)SCCN(CCCc1ccccc1)C(=O)N[C@@H](C)C(=O)N1CCN(C)CC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.45
CHRM1 P11229 5/20 0.42
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LPAR1 Q92633 1/20 0.39
CTSL P07711 1/20 0.37
RORC P51449 1/20 0.37
AVPR1A P37288 1/20 0.37
ACE P12821 1/20 0.36
MC4R P32245 1/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
CHRM3 P20309 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
SCHEMBL6895946 0.95 HSD17B10 (0.46) HSD17B10CHRM1ALDH1A1KDM4ECTSL
SCHEMBL27538415 0.95 HSD17B10 (0.46) HSD17B10CHRM1ALDH1A1KDM4ECTSL
SCHEMBL6891371 0.95 HSD17B10 (0.46) HSD17B10CHRM1ALDH1A1KDM4ECTSL
SCHEMBL6897829 0.91 AVPR1A (0.39) CHRM1ALDH1A1AVPR1AMC4RCYP3A4
SCHEMBL6889400 0.91 CHRM5 (0.38) HSD17B10CHRM1ALDH1A1CHRM3
SCHEMBL6897811 0.90 HSD17B10 (0.46) HSD17B10CHRM1ALDH1A1LPAR1AVPR1A
SCHEMBL6898126 0.90 HSD17B10 (0.40) HSD17B10CHRM1ALDH1A1KDM4ECTSL
SCHEMBL6897607 0.86 MEN1 (0.40) HSD17B10CHRM1ALDH1A1KDM4EACE
SCHEMBL6897088 0.86 HSD17B10 (0.44) HSD17B10CHRM1ALDH1A1KDM4EAVPR1A
SCHEMBL6897587 0.86 HSD17B10 (0.44) HSD17B10CHRM1ALDH1A1KDM4ECHRM3

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 HSD17B10 1909/4885CHRM1 340/4885ALDH1A1 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.