SCHEMBL6897620

SCHEMBL6897620

CC(=O)SCCN(CCc1ccccc1)C(=O)N[C@H](CC(C)C)CN1CCN(C)CC1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.37
GPR55 Q9Y2T6 2/20 0.36
POLB P06746 1/20 0.36
TACR1 P25103 1/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
MC4R P32245 1/20 0.34
FCER2 P06734 1/20 0.34
ASAH1 Q13510 1/20 0.34
GAA P10253 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PKM P14618 1/20 0.34
LPAR1 Q92633 1/20 0.34

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
SCHEMBL7214805 0.91 TACR1 (0.38) SIGMAR1TACR1MEN1KMT2AHSD17B10
SCHEMBL6897654 0.89 MC4R (0.37) SIGMAR1POLBTACR1ALDH1A1MEN1
SCHEMBL6896883 0.88 SIGMAR1 (0.40) SIGMAR1POLBTACR1ALDH1A1KDM4E
SCHEMBL7676098 0.88 SIGMAR1 (0.40) SIGMAR1POLBTACR1ALDH1A1KDM4E
SCHEMBL7656431 0.85 MC4R (0.31) MC4R
SCHEMBL27538348 0.84 HSD17B10 (0.43) ALDH1A1KDM4EGAAHSD17B10LPAR1
SCHEMBL6897614 0.84 HSD17B10 (0.43) ALDH1A1KDM4EGAAHSD17B10LPAR1
SCHEMBL6895946 0.81 HSD17B10 (0.46) ALDH1A1KDM4EHSD17B10PKM
SCHEMBL6891371 0.81 HSD17B10 (0.46) ALDH1A1KDM4EHSD17B10PKM
SCHEMBL27538415 0.81 HSD17B10 (0.46) ALDH1A1KDM4EHSD17B10PKM

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 SIGMAR1 26/4885GPR55 1697/4885POLB 2155/4885

“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.