SCHEMBL4656569

SCHEMBL4656569

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA13 Q8N1Q1 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
KDM4E B2RXH2 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
PARP1 P09874 3/20 0.33
PARP2 Q9UGN5 2/20 0.33

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
SCHEMBL4654485 0.88 OPRM1 (0.38) ALDH1A1MEN1KMT2ALMNACA12
SCHEMBL4654387 0.86 PARP1 (0.44) ALDH1A1MEN1KMT2ALMNAPARP1
SCHEMBL4656278 0.83 SMN1; SMN2 (0.49) PARP1PARP2OPRM1OPRL1
SCHEMBL4656934 0.81 PARP2 (0.42) ALDH1A1PARP1PARP2
SCHEMBL4656571 0.80 DPP4 (0.33) ALDH1A1KDM4ETDP1TP53DPP4
SCHEMBL5376108 0.79 PARP1 (0.43) PARP1
SCHEMBL33525767 0.78 NOS3 (0.36) MEN1KMT2APARP1DPP4DPP8
SCHEMBL4626252 0.77 PARP2 (0.46) ALDH1A1MEN1KMT2ALMNAPARP1
SCHEMBL4655667 0.77 PARP2 (0.41) PARP1PARP2OPRM1OPRL1
SCHEMBL4654650 0.77 PARP2 (0.43) PARP1PARP2OPRM1OPRL1

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
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
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 2753/4885MEN1 1033/4885KMT2A 2598/4885
US-20050096309-A1 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors TFPI, F12, F5 ALDH1A1 2753/4885MEN1 1033/4885KMT2A 2598/4885

“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.