SCHEMBL3547660

SCHEMBL3547660

N#Cc1cc(N2CCOCC2=O)ccc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.44
MAPT P10636 12/20 0.42
ALDH1A1 P00352 4/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
PKM P14618 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
F10 P00742 1/20 0.39
PTGS2 P35354 2/20 0.38
HTT P42858 1/20 0.38
MAPK1 P28482 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP1A2 P05177 1/20 0.37
ALOX15 P16050 1/20 0.37
GRIA1 P42261 1/20 0.37
GRIA2 P42262 1/20 0.37
GRIA3 P42263 1/20 0.37
GRIA4 P48058 1/20 0.37

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
SCHEMBL991899 0.82 LMNA (0.56) MAPTALDH1A1PKMSMN1; SMN2NPSR1
SCHEMBL85605 0.81 MAPT (0.45) MAPTALDH1A1PKMSMN1; SMN2NPSR1
SCHEMBL19180121 0.81 MAPT (0.65) MAPTALDH1A1PKMSMN1; SMN2NPSR1
SCHEMBL2945030 0.81 HPGD (0.53) MAPTALDH1A1L3MBTL1PKMSMN1; SMN2
SCHEMBL6687266 0.81 MAPT (0.64) MAPTALDH1A1L3MBTL1PKMSMN1; SMN2
SCHEMBL3551807 0.81 PIK3CD (0.50) PIK3CDMAPTSMN1; SMN2F10PTGS2
SCHEMBL18631038 0.79 MAPT (0.47) MAPTALDH1A1L3MBTL1PKMSMN1; SMN2
SCHEMBL28866946 0.78 MAPT (0.49) MAPTALDH1A1L3MBTL1HTTMAPK1
SCHEMBL30184634 0.78 LMNA (0.57) MAPTALDH1A1PKMSMN1; SMN2F10
SCHEMBL29212318 0.78 LMNA (0.57) MAPTALDH1A1PKMSMN1; SMN2F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101300252-B Novel cycloalkane carboxamides as factor Xa inhibitors HOFFMANN LA ROCHE 2011-09-28 CN disclosed
US-7678917-B2 Factor Xa inhibitors HOFFMAN-LA ROCHE INC. (US) 2010-03-16 US disclosed
US-7678917-B2 Factor Xa inhibitors HOFFMAN-LA ROCHE INC. (US) 2010-03-16 US disclosed
US-7601752-B2 Pyrrolidine derivatives HOFFMANN-LA ROCHE INC. (US) 2009-10-13 US disclosed
CN-101309919-A Novel pyrrolidine derivatives as inhibitors of coagulation factor XA HOFFMANN LA ROCHE (CH) 2008-11-19 CN disclosed
CN-101300252-A Novel cycloalkane carboxamides as factor Xa inhibitors HOFFMANN LA ROCHE (CH) 2008-11-05 CN disclosed
EP-1951717-A1 NOVEL PYRROLIDINE DERIVATIVES AS INHIBITORS OF COAGULATION FACTOR XA F.HOFFMANN-LA ROCHE AG (CH) 2008-08-06 EP disclosed
EP-1928864-A1 NOVEL CYCLOALKANE CARBOXAMIDES AS FACTOR XA INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2008-06-11 EP disclosed
WO-2007057317-A1 NOVEL PYRROLIDINE DERIVATIVES AS INHIBITORS OF COAGULATION FACTOR XA F. HOFFMANN-LA ROCHE AG (CH) 2007-05-24 WO disclosed
US-20070112001-A1 Pyrrolidine derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-05-17 US disclosed
WO-2007025949-A1 NOVEL CYCLOALKANE CARBOXAMIDES AS FACTOR XA INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-03-08 WO disclosed
WO-2007025949-A1 NOVEL CYCLOALKANE CARBOXAMIDES AS FACTOR XA INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-03-08 WO disclosed
US-20070049587-A1 Factor Xa inhibitors HOFFMANN-LA ROCHE INC. 2007-03-01 US disclosed
US-20070049587-A1 Factor Xa inhibitors HOFFMANN-LA ROCHE INC. 2007-03-01 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 (2 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-20070049587-A1 Factor Xa inhibitors F12, F11, F10 PIK3CD 3657/4885MAPT 4834/4885ALDH1A1 2585/4885
US-20070112001-A1 Pyrrolidine derivatives F12, F2, F11 PIK3CD 3583/4885MAPT 4845/4885ALDH1A1 1872/4885

“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.