SCHEMBL1630419

SCHEMBL1630419

COC(=O)C1(NCCC(C)(C)C)CCCC1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
SIGMAR1 Q99720 1/20 0.31
SSTR3 P32745 1/20 0.31
OPRL1 P41146 1/20 0.31
QPCT Q16769 1/20 0.30

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
SCHEMBL12788407 0.82 MAPT (0.41) MAPTNPSR1ALDH1A1L3MBTL1CYP4F2
SCHEMBL13612612 0.80 MAPT (0.42) MAPTNPSR1ALDH1A1L3MBTL1CYP4F2
SCHEMBL29186867 0.75 TSHR (0.45) MAPTNPSR1ALDH1A1L3MBTL1CYP4F2
SCHEMBL5524661 0.74 MAPT (0.47) MAPTNPSR1ALDH1A1L3MBTL1CYP4F2
SCHEMBL7437999 0.73 MAPT (0.38) MAPTNPSR1ALDH1A1L3MBTL1CYP4F2
Hydrochloric Acid SCHEMBL5524658 0.73 MAPT (0.46) MAPTNPSR1ALDH1A1L3MBTL1CYP4F2
SCHEMBL7435339 0.73 MAPT (0.42) MAPTNPSR1ALDH1A1L3MBTL1CYP4F2
SCHEMBL7431988 0.72 MAPT (0.40) MAPTNPSR1ALDH1A1L3MBTL1CYP4F2
SCHEMBL23374704 0.72 MAPT (0.41) MAPTNPSR1ALDH1A1L3MBTL1CYP4F2
SCHEMBL28023901 0.72 NPSR1 (0.35) MAPTNPSR1ALDH1A1L3MBTL1CYP4F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2183260-B1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS IV IDENIX PHARMACEUTICALS INC (US) 2011-06-01 EP disclosed
EP-2183260-B1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS IV IDENIX PHARMACEUTICALS INC (US) 2011-06-01 EP disclosed
US-7932240-B2 Phosphadiazine HCV polymerase inhibitors IV IDENIX PHARMACEUTICALS, INC. (US) 2011-04-26 US disclosed
US-7932240-B2 Phosphadiazine HCV polymerase inhibitors IV IDENIX PHARMACEUTICALS, INC. (US) 2011-04-26 US disclosed
US-7932240-B2 Phosphadiazine HCV polymerase inhibitors IV IDENIX PHARMACEUTICALS, INC. (US) 2011-04-26 US disclosed
CN-101842378-A Phosphadiazine HCV polymerase inhibitors IV IDENIX PHARMACEUTICALS INC (US) 2010-09-22 CN disclosed
US-20090081158-A1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS IV IDENIX PHARMACEUTICALS, INC. (US) 2009-03-26 US disclosed
US-20090081158-A1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS IV IDENIX PHARMACEUTICALS, INC. (US) 2009-03-26 US disclosed
US-20090081158-A1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS IV IDENIX PHARMACEUTICALS, INC. (US) 2009-03-26 US disclosed
WO-2009032180-A1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS IV IDENIX PHARMACEUTICALS, INC. (US) 2009-03-12 WO 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-20090081158-A1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS IV POLI, ITPA, POLR2H MAPT 4232/4885NPSR1 4168/4885ALDH1A1 1722/4885

“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.