SCHEMBL6895776

SCHEMBL6895776

CC(C)Oc1ccc(C[C@H](NC(=O)N(CCO)CCc2ccccc2)C(=O)NCCN(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.43
KIFC1 Q9BW19 5/20 0.42
KLKB1 P03952 1/20 0.42
KMT2A Q03164 1/20 0.41
CNR2 P34972 1/20 0.40
MMP8 P22894 1/20 0.40
ALPL P05186 1/20 0.39
ALPI P09923 1/20 0.39
ALPG P10696 1/20 0.39
PKM P14618 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
AVPR1A P37288 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
ATM Q13315 1/20 0.39
TACR2 P21452 2/20 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
SCHEMBL6897535 0.91 KMT2A (0.51) SRCKIFC1KLKB1KMT2AOPRM1
SCHEMBL6891324 0.91 TACR2 (0.44) KIFC1KMT2AMMP8CYP3A4TSHR
SCHEMBL6890575 0.89 SRC (0.42) SRCKIFC1KLKB1KMT2ACNR2
SCHEMBL6897026 0.89 L3MBTL1 (0.48) KIFC1MMP8
SCHEMBL6898098 0.88 OPRM1 (0.49) KIFC1MMP8OPRM1OPRD1
SCHEMBL7753429 0.88 OPRM1 (0.49) KIFC1MMP8OPRM1OPRD1
SCHEMBL6898089 0.87 MMP8 (0.42) SRCKIFC1KLKB1KMT2AMMP8
SCHEMBL6891355 0.87 KIFC1 (0.45) KIFC1KMT2AMMP8AVPR1AOPRM1
SCHEMBL6890087 0.87 AVPR1A (0.52) KIFC1CNR2MMP8AVPR1AOPRM1
SCHEMBL27538326 0.87 MMP8 (0.42) SRCKIFC1KLKB1KMT2AMMP8

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 SRC 2906/4885KIFC1 4614/4885KLKB1 4687/4885

“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.