SCHEMBL3240565

SCHEMBL3240565

Cc1c(Cl)nc(N(C)C2(c3ccccc3)CCC2)c(=O)n1CC(=O)OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.39
OPRL1 P41146 2/20 0.39
ALDH1A1 P00352 5/20 0.38
HPGD P15428 3/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 1/20 0.37
TSHR P16473 3/20 0.37
LMNA P02545 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RAB9A P51151 2/20 0.35
HSD17B10 Q99714 2/20 0.35
MAPK1 P28482 1/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL3240576 0.79 MEN1 (0.44) ALDH1A1HPGDKMT2AMEN1L3MBTL1
SCHEMBL3240571 0.79 TPSAB1 (0.43) ALDH1A1HPGDKMT2AMEN1L3MBTL1
SCHEMBL7140320 0.74 F2 (0.47) KMT2AMEN1
SCHEMBL8205180 0.73 TPSAB1 (0.52) TSHR
SCHEMBL7020342 0.72 F2 (0.40) KMT2AMEN1
SCHEMBL3247707 0.71 F2 (0.60)
SCHEMBL7021066 0.71 TPSAB1 (0.41) ALDH1A1HPGDKMT2AMEN1L3MBTL1
SCHEMBL7316389 0.70 F2 (0.39) ALDH1A1HPGDKMT2AMEN1L3MBTL1
SCHEMBL7316378 0.70 TPSAB1 (0.44) RAB9ANPC1TP53
SCHEMBL7316371 0.70 F2 (0.39) ALDH1A1HPGDKMT2AMEN1L3MBTL1

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 OPRM1 1434/4885OPRL1 1675/4885ALDH1A1 3372/4885

“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.