SCHEMBL4654387

SCHEMBL4654387

CC(C)N1CCC(N2CCCC(C(N)=O)C2=O)CC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 5/20 0.44
PARP2 Q9UGN5 4/20 0.44
LMNA P02545 1/20 0.33
HRH3 Q9Y5N1 3/20 0.32
ALDH1A1 P00352 3/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
DPP4 P27487 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP7 Q9UHL4 1/20 0.31
CYP2D6 P10635 1/20 0.31
KCNH2 Q12809 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
SCHEMBL4626252 0.91 PARP2 (0.46) PARP1PARP2LMNAHRH3ALDH1A1
SCHEMBL4654485 0.88 OPRM1 (0.38) PARP1PARP2LMNAHRH3ALDH1A1
SCHEMBL4656569 0.86 ALDH1A1 (0.36) PARP1PARP2LMNAALDH1A1MEN1
SCHEMBL4656934 0.84 PARP2 (0.42) PARP1PARP2ALDH1A1
SCHEMBL5376108 0.81 PARP1 (0.43) PARP1HRH3
SCHEMBL4656278 0.80 SMN1; SMN2 (0.49) PARP1PARP2
SCHEMBL33525767 0.80 NOS3 (0.36) PARP1MEN1KMT2ADPP4DPP8
SCHEMBL4655667 0.79 PARP2 (0.41) PARP1PARP2CYP2D6
SCHEMBL4654650 0.79 PARP2 (0.43) PARP1PARP2CYP2D6
SCHEMBL4626141 0.79 PARP1 (0.40) PARP1PARP2HRH3DPP4

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 PARP1 1406/4885PARP2 3321/4885LMNA 558/4885
US-20050096309-A1 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors TFPI, F12, F5 PARP1 1406/4885PARP2 3321/4885LMNA 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.