SCHEMBL3242816

SCHEMBL3242816

Cc1cnc(NCC2(c3ccccc3)CCC2)c(=O)n1CC(=O)O

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F2 P00734 17/20 0.57
PRSS1 P07477 5/20 0.42
KDM4E B2RXH2 1/20 0.41
PRSS2 P07478 2/20 0.41
PRSS3 P35030 2/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL14423553 0.91 F2 (0.69) F2PRSS1PRSS2PRSS3
SCHEMBL3246136 0.81 F2 (0.56) F2PRSS1PRSS2PRSS3
SCHEMBL14423552 0.79 F2 (0.65) F2PRSS1PRSS2PRSS3
SCHEMBL5885063 0.78 F2 (0.49) F2PRSS1PRSS2PRSS3
SCHEMBL5885011 0.78 F2 (0.51) F2PRSS1PRSS2PRSS3
SCHEMBL23460594 0.76 SMN1; SMN2 (0.40) F2KDM4ESMN1; SMN2
SCHEMBL23461146 0.76 F2 (0.48) F2KDM4E
SCHEMBL3238624 0.75 F2 (0.70) F2PRSS1PRSS2PRSS3
SCHEMBL7220542 0.75 F2 (0.47) F2PRSS1PRSS2PRSS3
SCHEMBL23460736 0.75 F2 (0.41) F2KDM4E

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1589029-B1 Pyrazinone protease inhibitors ORTHO MCNEIL PHARM INC (US) 2010-03-17 EP disclosed
EP-1589029-A2 Pyrazinone protease inhibitors Johnson & Johnson Pharmaceutical Research & Development L.L.C. (US) 2005-10-26 EP disclosed
EP-1086122-B1 PYRAZINONE PROTEASE INHIBITORS JOHNSON & JOHNSON PHARM RES (US) 2005-08-24 EP disclosed
US-6514978-B2 Compounds such as 1-(n-(2-(amidinoaminooxy)ethyl)amino) carbonylmethyl-6-methyl-3-(phenethylamino)-pyrazinone attached to a polymer coated onto a medical device for blood collection or storage; antiagglomerants 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-02-04 US disclosed
US-20010021713-A1 Thromboresistant materials incorporating pyrazinone protease inhibitors LU TIANBAO (US) 2001-09-13 US disclosed
US-6204263-B1 THROMBIN INHIBITORS. 3-DIMENSIONAL PHARMACEUTICALS, INC. 2001-03-20 US 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-20010021713-A1 Thromboresistant materials incorporating pyrazinone protease inhibitors HPN, SERPINE1, SERPINC1 F2 23/4885PRSS1 10/4885KDM4E 3587/4885

“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.