SCHEMBL5158042

SCHEMBL5158042

CC(C)(C)OC(=O)N=C(NOCCNC(=O)[C@@H]1CCc2cnc(NCC(c3ccccc3)c3ccccc3)c(=O)n21)NC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.42
PRSS1 P07477 2/20 0.42
PRSS2 P07478 2/20 0.42
PRSS3 P35030 2/20 0.42
CXCR3 P49682 10/20 0.34
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
OGFRL1 Q5TC84 1/20 0.31
F10 P00742 1/20 0.31
PLAT P00750 1/20 0.31
USP30 Q70CQ3 1/20 0.31

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
SCHEMBL5158036 1.00 F2 (0.42) F2PRSS1PRSS2PRSS3CXCR3
SCHEMBL6737271 0.81 F2 (0.49) F2PRSS1PRSS2PRSS3F10
Hydrochloric Acid SCHEMBL6739184 0.81 F2 (0.49) F2PRSS1PRSS2PRSS3F10
SCHEMBL6734250 0.72 F2 (0.44) F2PRSS1PRSS2PRSS3OPRM1
SCHEMBL6998030 0.71 F2 (0.38) F2PRSS1PRSS2PRSS3F10
Hydrochloric Acid SCHEMBL7992298 0.71 F2 (0.38) F2PRSS1PRSS2PRSS3F10
SCHEMBL6995649 0.70 F2 (0.56) F2PRSS1PRSS2PRSS3F10
SCHEMBL6732975 0.70 F2 (0.45) F2PRSS1PRSS2PRSS3F10
SCHEMBL6732980 0.70 F2 (0.45) F2PRSS1PRSS2PRSS3F10
SCHEMBL6998939 0.70 F2 (0.56) F2PRSS1PRSS2PRSS3F10

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
EP-1215213-B1 Bicyclic amino-pyrazone derivatives, their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2007-01-17 EP disclosed
US-6686358-B2 ANTICOAGULANTS; CARDOVISCULAR DISORDERS LES LABORATOIRES SERVIER (FR) 2004-02-03 US disclosed
US-20020111341-A1 Bicyclic amino-pyrazinone compounds LES LABORATOIRES SERVIER (FR) 2002-08-15 US disclosed
EP-1215213-A2 Bicyclic amino-pyrazone derivatives, their preparation and pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2002-06-19 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-20020111341-A1 Bicyclic amino-pyrazinone compounds CTRL, PRSS3, PRSS1 F2 125/4885PRSS1 3/4885PRSS2 5/4885

“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.