SCHEMBL6898419

SCHEMBL6898419

CC(=O)SCCN(CCc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCN(C)C

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.44
OPRD1 P41143 6/20 0.44
OPRK1 P41145 6/20 0.44
GRIA1 P42261 3/20 0.43
CHRNA1 P02708 3/20 0.42
CHRNG P07510 3/20 0.42
CHRNB1 P11230 3/20 0.42
CHRND Q07001 3/20 0.42
MMP8 P22894 3/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
CTSL P07711 1/20 0.41
KIFC1 Q9BW19 1/20 0.41
SRC P12931 1/20 0.39

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
SCHEMBL6895814 0.95 CTSS (0.42) MMP8KIFC1SRC
SCHEMBL6899419 0.94 KIFC1 (0.45) MMP8MMP2MMP9KIFC1SRC
SCHEMBL27538457 0.92 AVPR1A (0.46) MMP8CTSLKIFC1SRC
SCHEMBL6899191 0.92 AVPR1A (0.46) MMP8CTSLKIFC1SRC
SCHEMBL6890698 0.92 KIFC1 (0.42) MMP8CTSLKIFC1SRC
SCHEMBL6897068 0.91 KMT2A (0.47) OPRM1OPRD1MMP2MMP9CTSL
SCHEMBL6895729 0.91 MEN1 (0.41) MMP8CTSLKIFC1SRC
SCHEMBL6890575 0.89 SRC (0.42) OPRM1OPRD1MMP8KIFC1SRC
SCHEMBL6890418 0.89 ALDH1A1 (0.44) CTSL
SCHEMBL6897220 0.89 MME (0.44) MMP8MMP2MMP9CTSL

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 OPRM1 41/4885OPRD1 43/4885OPRK1 69/4885

“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.