SCHEMBL4655431

SCHEMBL4655431

NC(=O)C1CCCN(C2CCN(CCCCO)CC2)C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.44
ALDH1A1 P00352 4/20 0.44
LMNA P02545 1/20 0.38
BCHE P06276 1/20 0.36
KDM4E B2RXH2 3/20 0.33
PARP1 P09874 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
RAD52 P43351 1/20 0.33
RECQL P46063 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTR4 Q13639 2/20 0.32
HRH3 Q9Y5N1 1/20 0.32
HTR1A P08908 4/20 0.32
HTR7 P34969 4/20 0.32
HSD17B10 Q99714 1/20 0.31
PMP22 Q01453 1/20 0.31

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
SCHEMBL4712761 0.92 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1LMNABCHEPARP1
SCHEMBL4655432 0.83 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1LMNAKDM4EMEN1
SCHEMBL4656278 0.81 SMN1; SMN2 (0.49) SMN1; SMN2BCHEPARP1
SCHEMBL4656934 0.79 PARP2 (0.42) ALDH1A1PARP1L3MBTL1
SCHEMBL5376775 0.77 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1LMNAMAPTTDP1
SCHEMBL33525767 0.76 NOS3 (0.36) PARP1MEN1KMT2A
SCHEMBL4655667 0.75 PARP2 (0.41) PARP1L3MBTL1
SCHEMBL4654650 0.75 PARP2 (0.43) PARP1L3MBTL1
SCHEMBL5386046 0.75 ALDH1A1 (0.41) ALDH1A1PARP1L3MBTL1
SCHEMBL5376108 0.74 PARP1 (0.43) PARP1HRH3

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
US-7169795-B2 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors BRISTOL MYERS SQUIBB COMPANY (US) 2007-01-30 US claimed
US-20050096309-A1 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-05-05 US claimed
EP-1667635-A4 SULFONYLAMINOVALEROLACTAMS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-01-23 EP disclosed
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
EP-1667635-A2 SULFONYLAMINOVALEROLACTAMS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS Bristol-Myers Squibb Company (US) 2006-06-14 EP disclosed
WO-2005048922-A2 SULFONYLAMINOVALEROLACTAMS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-06-02 WO 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 SMN1; SMN2 2879/4885ALDH1A1 2753/4885LMNA 558/4885
US-20050096309-A1 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors TFPI, F12, F5 SMN1; SMN2 2879/4885ALDH1A1 2753/4885LMNA 558/4885

“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.