SCHEMBL5376146

SCHEMBL5376146

NC(=O)C1CCCN(C2CCN(C3CCCCC3)CC2)C1=O

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PARP2 Q9UGN5 6/20 0.45
OPRM1 P35372 7/20 0.44
OGFRL1 Q5TC84 6/20 0.44
OPRK1 P41145 5/20 0.44
OPRD1 P41143 4/20 0.44
OPRL1 P41146 2/20 0.40
PARP1 P09874 10/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2B6 P20813 1/20 0.39
PARP3 Q9Y6F1 1/20 0.38

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 0.98 PARP2 (0.43) PARP2OPRM1OGFRL1OPRK1OPRD1
SCHEMBL4655667 0.95 PARP2 (0.41) PARP2OPRM1OGFRL1OPRK1OPRD1
SCHEMBL5381512 0.93 PARP2 (0.46) PARP2OPRM1OGFRL1OPRK1OPRD1
SCHEMBL5376556 0.91 PARP2 (0.44) PARP2OPRM1OGFRL1OPRK1OPRD1
SCHEMBL5386046 0.89 ALDH1A1 (0.41) PARP2OPRM1OGFRL1OPRK1OPRD1
SCHEMBL5371518 0.87 PARP1 (0.46) PARP2OPRM1OGFRL1OPRK1OPRD1
SCHEMBL33525767 0.84 NOS3 (0.36) OPRM1OGFRL1OPRK1OPRD1PARP1
SCHEMBL4656934 0.82 PARP2 (0.42) PARP2PARP1
SCHEMBL5376108 0.79 PARP1 (0.43) PARP1
SCHEMBL5390708 0.79 PARP2 (0.34) PARP2OPRM1OGFRL1OPRK1OPRD1

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 6 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
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 PARP2 3321/4885OPRM1 4572/4885OGFRL1 922/4885
US-20050096309-A1 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors TFPI, F12, F5 PARP2 3321/4885OPRM1 4572/4885OGFRL1 922/4885

“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.