SCHEMBL6895441

SCHEMBL6895441

CN(C)CCNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)N(CCO)CCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MME P08473 5/20 0.47
ACE P12821 4/20 0.47
CTSB P07858 3/20 0.46
CTSS P25774 3/20 0.46
CTSL P07711 2/20 0.46
CTSK P43235 2/20 0.45
MMP9 P14780 4/20 0.45
MMP8 P22894 4/20 0.45
MMP2 P08253 2/20 0.45
FCER2 P06734 2/20 0.44
TACR2 P21452 1/20 0.42
UTS2R Q9UKP6 1/20 0.42
SIGMAR1 Q99720 1/20 0.41

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 0.90 TACR2 (0.44) CTSSCTSKMMP8TACR2
SCHEMBL6897220 0.89 MME (0.44) MMEACECTSBCTSSCTSL
SCHEMBL6897026 0.89 L3MBTL1 (0.48) MMEACECTSBCTSSCTSK
SCHEMBL6898098 0.88 OPRM1 (0.49) CTSLMMP9MMP8MMP2
SCHEMBL7753429 0.88 OPRM1 (0.49) CTSLMMP9MMP8MMP2
SCHEMBL6897535 0.87 KMT2A (0.51) CTSSCTSLCTSKMMP9TACR2
SCHEMBL6898089 0.87 MMP8 (0.42) MMP8TACR2
SCHEMBL6890087 0.87 AVPR1A (0.52) MMP8TACR2UTS2RSIGMAR1
SCHEMBL6891355 0.87 KIFC1 (0.45) MMP8TACR2
SCHEMBL27538358 0.87 AVPR1A (0.52) MMP8TACR2UTS2RSIGMAR1

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 MME 1516/4885ACE 1063/4885CTSB 1387/4885

“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.