SCHEMBL6891324

SCHEMBL6891324

CN(C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)N(CCO)CCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KMT2A Q03164 1/20 0.44
MMP8 P22894 2/20 0.44
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
KIFC1 Q9BW19 1/20 0.43
AVPR1A P37288 1/20 0.42

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
SCHEMBL6897026 0.96 L3MBTL1 (0.48) L3MBTL1MMP8CTSSCTSKKIFC1
SCHEMBL6898098 0.95 OPRM1 (0.49) MMP8KIFC1
SCHEMBL7753429 0.95 OPRM1 (0.49) MMP8KIFC1
SCHEMBL6890087 0.94 AVPR1A (0.52) TACR2L3MBTL1MMP8KIFC1AVPR1A
SCHEMBL6898089 0.94 MMP8 (0.42) TACR2L3MBTL1KMT2AMMP8KIFC1
SCHEMBL6891355 0.94 KIFC1 (0.45) TACR2L3MBTL1KMT2AMMP8KIFC1
SCHEMBL27538358 0.94 AVPR1A (0.52) TACR2L3MBTL1MMP8KIFC1AVPR1A
SCHEMBL27538326 0.94 MMP8 (0.42) TACR2L3MBTL1KMT2AMMP8KIFC1
SCHEMBL6897535 0.92 KMT2A (0.51) TACR2KMT2ACTSSCTSKKIFC1
SCHEMBL6898000 0.92 MEN1 (0.43) TACR2KMT2AMMP8CTSSCTSK

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 TACR2 94/4885L3MBTL1 3448/4885KMT2A 4759/4885

“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.