SCHEMBL4747253

SCHEMBL4747253

CCN1C[C@H](C(C)C)n2c(c(O)c3c(=O)n(Cc4ccc(F)cc4)cc(C)c32)C1=O

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.35
CNR1 P21554 7/20 0.35
FAAH O00519 4/20 0.35
ABHD12 Q8N2K0 2/20 0.35
P2RX7 Q99572 2/20 0.34
HTT P42858 1/20 0.32
BRD4 O60885 1/20 0.32
GRM2 Q14416 1/20 0.32
TP53 P04637 2/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL4747839 0.89 TP53 (0.34) CNR2CNR1FAAHABHD12HTT
SCHEMBL4746418 0.88 CNR2 (0.36) CNR2CNR1FAAHABHD12HTT
SCHEMBL13846588 0.72 PKM (0.40) CNR2CNR1HTTTP53MAPT
SCHEMBL13842711 0.72 PKM (0.40) CNR2CNR1HTTTP53MAPT
SCHEMBL4747960 0.71 MAPT (0.35) CNR2CNR1FAAHABHD12BRD4
SCHEMBL1386743 0.71 PKM (0.39) CNR2CNR1HTTGRM2TP53
SCHEMBL3981578 0.70 PKM (0.38) CNR2CNR1HTTTP53MAPT
SCHEMBL3982659 0.68 PKM (0.37) CNR2CNR1HTTTP53MAPT
SCHEMBL3985624 0.67 PKM (0.36) CNR2CNR1P2RX7HTTTP53
SCHEMBL14051992 0.66 FSCN1 (0.41) BRD4GRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1677599-A4 HYDROXY PYRIDOPYRROLOPYRAZINE DIONE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2008-10-22 EP claimed
US-7435735-B2 Hydroxy pyridopyrrolopyrazine dione compounds useful as HIV integrase inhibitors MERCK & CO., INC. (US) 2008-10-14 US claimed
US-20070093496-A1 Hydroxy pyridopyrrolopyrazine dione compounds useful as hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2007-04-26 US claimed
EP-1677599-A1 HYDROXY PYRIDOPYRROLOPYRAZINE DIONE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2006-07-12 EP claimed
WO-2005041664-A1 HYDROXY PYRIDOPYRROLOPYRAZINE DIONE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2005-05-12 WO claimed
US-7435735-B2 Hydroxy pyridopyrrolopyrazine dione compounds useful as HIV integrase inhibitors MERCK & CO., INC. (US) 2008-10-14 US disclosed
US-7435735-B2 Hydroxy pyridopyrrolopyrazine dione compounds useful as HIV integrase inhibitors MERCK & CO., INC. (US) 2008-10-14 US disclosed
US-20070093496-A1 Hydroxy pyridopyrrolopyrazine dione compounds useful as hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2007-04-26 US disclosed
US-20070093496-A1 Hydroxy pyridopyrrolopyrazine dione compounds useful as hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2007-04-26 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-20070093496-A1 Hydroxy pyridopyrrolopyrazine dione compounds useful as hiv integrase inhibitors DHPS, DPYD, TYMP CNR2 3948/4885CNR1 2974/4885FAAH 4212/4885

“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.