SCHEMBL6898089

SCHEMBL6898089

CN(C)CCNC(=O)[C@H](Cc1ccc(N)cc1)NC(=O)N(CCO)CCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.42
KMT2A Q03164 1/20 0.42
KIFC1 Q9BW19 1/20 0.41
AVPR1A P37288 1/20 0.41
TACR2 P21452 3/20 0.41
AVPR1B P47901 1/20 0.40
KLKB1 P03952 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GRIA1 P42261 1/20 0.40
SRC P12931 1/20 0.40

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
SCHEMBL27538326 1.00 MMP8 (0.42) MMP8KMT2AKIFC1AVPR1ATACR2
SCHEMBL6891324 0.94 TACR2 (0.44) MMP8KMT2AKIFC1AVPR1ATACR2
SCHEMBL6897026 0.92 L3MBTL1 (0.48) MMP8KIFC1L3MBTL1
SCHEMBL7753429 0.91 OPRM1 (0.49) MMP8KIFC1OPRM1OPRD1OPRK1
SCHEMBL6898098 0.91 OPRM1 (0.49) MMP8KIFC1OPRM1OPRD1OPRK1
SCHEMBL27538358 0.90 AVPR1A (0.52) MMP8KIFC1AVPR1ATACR2OPRM1
SCHEMBL6891355 0.90 KIFC1 (0.45) MMP8KMT2AKIFC1AVPR1ATACR2
SCHEMBL6890087 0.90 AVPR1A (0.52) MMP8KIFC1AVPR1ATACR2OPRM1
SCHEMBL6897535 0.89 KMT2A (0.51) KMT2AKIFC1TACR2AVPR1BKLKB1
SCHEMBL6898000 0.88 MEN1 (0.43) MMP8KMT2AKIFC1AVPR1ATACR2

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 MMP8 3131/4885KMT2A 4759/4885KIFC1 4614/4885

“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.