SCHEMBL6889400

SCHEMBL6889400

CC(=O)SCCN(CCCc1ccc(F)cc1)C(=O)N[C@@H](C)C(=O)N1CCN(C)CC1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 2/20 0.38
CHRM1 P11229 2/20 0.38
CHRM3 P20309 2/20 0.38
NAMPT P43490 1/20 0.38
HTR2A P28223 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
HSD17B10 Q99714 1/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HTT P42858 1/20 0.34
SLC1A2 P43004 1/20 0.34
KCNH2 Q12809 1/20 0.34
CYP2D6 P10635 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL6895628 0.95 CHRM5 (0.39) CHRM5CHRM1CHRM3HTR2AL3MBTL1
SCHEMBL6897829 0.91 AVPR1A (0.39) CHRM1HTR2ATSHRSMN1; SMN2KCNH2
SCHEMBL6897496 0.91 HSD17B10 (0.45) CHRM1CHRM3HSD17B10ALDH1A1
SCHEMBL6897607 0.87 MEN1 (0.40) CHRM1L3MBTL1HSD17B10SMN1; SMN2ALDH1A1
SCHEMBL6898176 0.86 CYP3A4 (0.39) CHRM1HTR2AHSD17B10TSHRSMN1; SMN2
SCHEMBL6891371 0.86 HSD17B10 (0.46) CHRM1HSD17B10TSHRALDH1A1
SCHEMBL6895946 0.86 HSD17B10 (0.46) CHRM1HSD17B10TSHRALDH1A1
SCHEMBL27538415 0.86 HSD17B10 (0.46) CHRM1HSD17B10TSHRALDH1A1
SCHEMBL6890745 0.84 MAPT (0.43) CHRM5CHRM1CHRM3SMN1; SMN2ALDH1A1
SCHEMBL6898126 0.84 HSD17B10 (0.40) CHRM1PPARGPPARAHSD17B10TSHR

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 CHRM5 172/4885CHRM1 340/4885CHRM3 277/4885

“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.