SCHEMBL5380203

SCHEMBL5380203

NC(=O)C1CCCN(C2CCNCC2)C1=O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.39
FPR2 P25090 1/20 0.39
HTR2C P28335 4/20 0.35
HTR2B P41595 4/20 0.35
PARP2 Q9UGN5 4/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
PARP3 Q9Y6F1 2/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
ELANE P08246 2/20 0.32
TP53 P04637 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
CYP2D6 P10635 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
SCHEMBL33525767 0.83 NOS3 (0.36) PARP1NOS3NOS1ELANEKMT2A
SCHEMBL4656934 0.81 PARP2 (0.42) PARP1PARP2L3MBTL1NOS3NOS1
SCHEMBL20525292 0.81 PARP1 (0.43) PARP1FPR2HTR2CHTR2BPARP2
SCHEMBL4655667 0.80 PARP2 (0.41) PARP1PARP2L3MBTL1CYP2D6
SCHEMBL4654650 0.80 PARP2 (0.43) PARP1PARP2L3MBTL1CYP2D6
SCHEMBL5376146 0.79 PARP2 (0.45) PARP1PARP2PARP3CYP2D6
SCHEMBL5376108 0.79 PARP1 (0.43) PARP1
SCHEMBL4656278 0.78 SMN1; SMN2 (0.49) PARP1PARP2
SCHEMBL4654387 0.78 PARP1 (0.44) PARP1PARP2KMT2ACYP2D6
SCHEMBL23336233 0.77 FPR2 (0.39) PARP1FPR2HTR2CHTR2BNOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7312218-B2 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors BRISTOL MYERS SQUIBB CO. (US) 2007-12-25 US disclosed
US-20070099922-A1 SULFONYLAMINOVALEROLACTAMS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS HAN WEI 2007-05-03 US disclosed
US-7169795-B2 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors BRISTOL MYERS SQUIBB COMPANY (US) 2007-01-30 US disclosed
US-20050096309-A1 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-05-05 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-20070099922-A1 SULFONYLAMINOVALEROLACTAMS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS TFPI, F12, F5 PARP1 1406/4885FPR2 3990/4885HTR2C 4343/4885
US-20050096309-A1 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors TFPI, F12, F5 PARP1 1406/4885FPR2 3990/4885HTR2C 4343/4885

“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.