SCHEMBL3551807

SCHEMBL3551807

N#Cc1cc(N2CCOCC2=O)ccc1N

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.50
F10 P00742 4/20 0.45
PTGS2 P35354 9/20 0.41
HTR1A P08908 2/20 0.40
TBK1 Q9UHD2 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NSD2 O96028 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
CASP1 P29466 1/20 0.40
HTT P42858 1/20 0.40
CASP7 P55210 1/20 0.40
CASP6 P55212 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38
LGMN Q99538 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
Trifluoroacetic Acid SCHEMBL4638732 0.89 PIK3CD (0.43) PIK3CDF10PTGS2HTR1APIK3CA
SCHEMBL4639953 0.83 PIK3CD (0.46) PIK3CDF10PTGS2HTR1A
SCHEMBL991941 0.82 F10 (0.51) PIK3CDF10PTGS2PIK3CAPIK3CB
SCHEMBL3547660 0.81 PIK3CD (0.44) PIK3CDF10PTGS2HTR1AKDM4E
SCHEMBL2996200 0.78 PTGS2 (0.50) PIK3CDF10PTGS2PIK3CAPIK3CB
SCHEMBL1028503 0.78 F10 (0.48) PIK3CDF10PTGS2PIK3CAPIK3CB
SCHEMBL31347248 0.78 F10 (0.48) PIK3CDF10PTGS2PIK3CAPIK3CB
SCHEMBL19178457 0.78 F10 (0.51) PIK3CDF10PTGS2PIK3CAPIK3CB
SCHEMBL2450403 0.78 MAPT (0.63) PIK3CDTBK1KDM4ENSD2LMNA
SCHEMBL2941206 0.78 F10 (0.50) PIK3CDF10PTGS2HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1951717-A1 NOVEL PYRROLIDINE DERIVATIVES AS INHIBITORS OF COAGULATION FACTOR XA F.HOFFMANN-LA ROCHE AG (CH) 2008-08-06 EP claimed
WO-2007057317-A1 NOVEL PYRROLIDINE DERIVATIVES AS INHIBITORS OF COAGULATION FACTOR XA F. HOFFMANN-LA ROCHE AG (CH) 2007-05-24 WO claimed
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-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
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 3657/4885F10 3/4885PTGS2 1679/4885
US-20070112001-A1 Pyrrolidine derivatives F12, F2, F11 PIK3CD 3583/4885F10 7/4885PTGS2 491/4885

“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.