SCHEMBL6896883

SCHEMBL6896883

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

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.40
POLB P06746 1/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
GAA P10253 1/20 0.37
MC4R P32245 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PKM P14618 1/20 0.36
ASAH1 Q13510 1/20 0.36
TACR1 P25103 1/20 0.36
LPAR1 Q92633 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
SCHEMBL7676098 1.00 SIGMAR1 (0.40) SIGMAR1POLBALDH1A1KDM4EMEN1
SCHEMBL7214151 0.90 SIGMAR1 (0.41) SIGMAR1MEN1KMT2AGAAHSD17B10
SCHEMBL6897620 0.88 SIGMAR1 (0.37) SIGMAR1POLBALDH1A1KDM4EMEN1
SCHEMBL6895470 0.83 HDAC3 (0.33) SIGMAR1POLBMC4R
SCHEMBL6896882 0.82 HSD17B10 (0.46) ALDH1A1KDM4EGAAHSD17B10LPAR1
SCHEMBL27538255 0.82 HSD17B10 (0.46) ALDH1A1KDM4EGAAHSD17B10LPAR1
SCHEMBL7214805 0.78 TACR1 (0.38) SIGMAR1MEN1KMT2AHSD17B10TACR1
SCHEMBL6897654 0.76 MC4R (0.37) SIGMAR1POLBALDH1A1MEN1MAPT
SCHEMBL27560040 0.76 LPAR1 (0.56) MAPTGAALPAR1
SCHEMBL6889341 0.76 LPAR1 (0.56) MAPTGAALPAR1

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 26/4885POLB 2155/4885ALDH1A1 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.