SCHEMBL4655667

SCHEMBL4655667

NC(=O)C1CCCN(C2CCN(C3CCC3)CC2)C1=O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PARP2 Q9UGN5 4/20 0.41
OPRM1 P35372 4/20 0.40
OPRD1 P41143 3/20 0.40
OPRK1 P41145 3/20 0.40
OGFRL1 Q5TC84 3/20 0.40
PARP1 P09874 12/20 0.38
L3MBTL3 Q96JM7 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
CYP2D6 P10635 1/20 0.35
CYP2B6 P20813 1/20 0.35
OPRL1 P41146 1/20 0.35
CHRM1 P11229 1/20 0.35

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
SCHEMBL4654650 0.97 PARP2 (0.43) PARP2OPRM1OPRD1OPRK1OGFRL1
SCHEMBL5376146 0.95 PARP2 (0.45) PARP2OPRM1OPRD1OPRK1OGFRL1
SCHEMBL5386046 0.90 ALDH1A1 (0.41) PARP2OPRM1OPRD1OPRK1OGFRL1
SCHEMBL5376556 0.89 PARP2 (0.44) PARP2OPRM1OPRD1OPRK1OGFRL1
SCHEMBL5371518 0.89 PARP1 (0.46) PARP2OPRM1OPRD1OPRK1OGFRL1
SCHEMBL5381512 0.88 PARP2 (0.46) PARP2OPRM1OPRD1OPRK1OGFRL1
SCHEMBL33525767 0.85 NOS3 (0.36) OPRM1OPRD1OPRK1OGFRL1PARP1
SCHEMBL4656934 0.83 PARP2 (0.42) PARP2PARP1L3MBTL3L3MBTL1
SCHEMBL5376108 0.81 PARP1 (0.43) PARP1
SCHEMBL5380203 0.80 PARP1 (0.39) PARP2PARP1L3MBTL1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1667635-A4 SULFONYLAMINOVALEROLACTAMS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-01-23 EP claimed
US-7169795-B2 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors BRISTOL MYERS SQUIBB COMPANY (US) 2007-01-30 US claimed
EP-1667635-A2 SULFONYLAMINOVALEROLACTAMS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS Bristol-Myers Squibb Company (US) 2006-06-14 EP claimed
WO-2005048922-A2 SULFONYLAMINOVALEROLACTAMS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-06-02 WO 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 PARP2 3321/4885OPRM1 4572/4885OPRD1 3778/4885
US-20050096309-A1 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors TFPI, F12, F5 PARP2 3321/4885OPRM1 4572/4885OPRD1 3778/4885

“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.