SCHEMBL5386046

SCHEMBL5386046

CN1CCC(N2CCC(N3CCCC(C(N)=O)C3=O)CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
L3MBTL3 Q96JM7 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PARP2 Q9UGN5 6/20 0.39
PARP1 P09874 9/20 0.37
PARP3 Q9Y6F1 1/20 0.37
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
OGFRL1 Q5TC84 1/20 0.36
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
SCHEMBL4656934 0.94 PARP2 (0.42) ALDH1A1L3MBTL3L3MBTL1PARP2PARP1
SCHEMBL4655667 0.90 PARP2 (0.41) L3MBTL3L3MBTL1PARP2PARP1OPRM1
SCHEMBL4654650 0.90 PARP2 (0.43) L3MBTL3L3MBTL1PARP2PARP1OPRM1
SCHEMBL5376146 0.89 PARP2 (0.45) PARP2PARP1PARP3OPRM1OPRD1
SCHEMBL5371518 0.85 PARP1 (0.46) ALDH1A1L3MBTL3L3MBTL1PARP2PARP1
SCHEMBL5376556 0.82 PARP2 (0.44) L3MBTL3L3MBTL1PARP2PARP1PARP3
SCHEMBL5381512 0.81 PARP2 (0.46) PARP2PARP1PARP3OPRM1OPRD1
SCHEMBL5376108 0.80 PARP1 (0.43) PARP1
SCHEMBL4656278 0.79 SMN1; SMN2 (0.49) PARP2PARP1OPRM1
SCHEMBL4654387 0.79 PARP1 (0.44) ALDH1A1PARP2PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ALDH1A1 2753/4885L3MBTL3 4679/4885L3MBTL1 4018/4885
US-20050096309-A1 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors TFPI, F12, F5 ALDH1A1 2753/4885L3MBTL3 4679/4885L3MBTL1 4018/4885

“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.