SCHEMBL6897535

SCHEMBL6897535

COc1ccc(C[C@H](NC(=O)N(CCO)CCc2ccccc2)C(=O)NCCN(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.51
OPRM1 P35372 1/20 0.48
OPRD1 P41143 1/20 0.48
ATM Q13315 1/20 0.48
MMP3 P08254 3/20 0.45
CTSL P07711 2/20 0.45
CTSS P25774 2/20 0.45
CTSK P43235 1/20 0.45
SRC P12931 1/20 0.44
MMP1 P03956 2/20 0.43
LPAR1 Q92633 2/20 0.43
LPAR5 Q9H1C0 1/20 0.43
AVPR1B P47901 1/20 0.43
KLKB1 P03952 1/20 0.43
KIFC1 Q9BW19 2/20 0.43
MMP9 P14780 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43

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
SCHEMBL6891324 0.92 TACR2 (0.44) KMT2ACTSSCTSKKIFC1TACR2
SCHEMBL6895776 0.91 SRC (0.43) KMT2AOPRM1OPRD1ATMSRC
SCHEMBL6897026 0.91 L3MBTL1 (0.48) CTSSCTSKKIFC1MMP9
SCHEMBL6898098 0.90 OPRM1 (0.49) OPRM1OPRD1CTSLKIFC1MMP9
SCHEMBL7753429 0.90 OPRM1 (0.49) OPRM1OPRD1CTSLKIFC1MMP9
SCHEMBL6898089 0.89 MMP8 (0.42) KMT2AOPRM1OPRD1SRCAVPR1B
SCHEMBL6890087 0.89 AVPR1A (0.52) OPRM1OPRD1KIFC1TACR2
SCHEMBL6891355 0.89 KIFC1 (0.45) KMT2AOPRM1OPRD1KIFC1TACR2
SCHEMBL27538358 0.89 AVPR1A (0.52) OPRM1OPRD1KIFC1TACR2
SCHEMBL27538326 0.89 MMP8 (0.42) KMT2AOPRM1OPRD1SRCAVPR1B

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 5 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
CN-1299344-A Novel urea derivatives SANTEN PHARCEUMATICAL CO LTD (JP) 2001-06-13 CN 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 KMT2A 4759/4885OPRM1 41/4885OPRD1 43/4885

“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.