SCHEMBL6891355

SCHEMBL6891355

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

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KIFC1 Q9BW19 2/20 0.45
MMP8 P22894 1/20 0.42
ALDH1A1 P00352 1/20 0.42
PSMB8 P28062 1/20 0.41
PSMB5 P28074 1/20 0.41
AVPR1A P37288 1/20 0.41
MEN1 O00255 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
TACR2 P21452 3/20 0.41
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL6891324 0.94 TACR2 (0.44) KIFC1MMP8AVPR1AKMT2ATACR2
SCHEMBL6897026 0.92 L3MBTL1 (0.48) KIFC1MMP8L3MBTL1
SCHEMBL6898098 0.91 OPRM1 (0.49) KIFC1MMP8OPRM1OPRD1OPRK1
SCHEMBL7753429 0.91 OPRM1 (0.49) KIFC1MMP8OPRM1OPRD1OPRK1
SCHEMBL6890087 0.90 AVPR1A (0.52) KIFC1MMP8AVPR1ATACR2OPRM1
SCHEMBL27538326 0.90 MMP8 (0.42) KIFC1MMP8AVPR1AKMT2ATACR2
SCHEMBL27538358 0.90 AVPR1A (0.52) KIFC1MMP8AVPR1ATACR2OPRM1
SCHEMBL6898089 0.90 MMP8 (0.42) KIFC1MMP8AVPR1AKMT2ATACR2
SCHEMBL6897535 0.89 KMT2A (0.51) KIFC1KMT2ATACR2OPRM1OPRD1
SCHEMBL6890698 0.88 KIFC1 (0.42) KIFC1MMP8ALDH1A1PSMB8PSMB5

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 KIFC1 4614/4885MMP8 3131/4885ALDH1A1 1309/4885

“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.