SCHEMBL5368526

SCHEMBL5368526

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.36
ITGA2B P08514 3/20 0.36
OPRM1 P35372 1/20 0.36
OPRK1 P41145 1/20 0.36
TSHR P16473 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
POLB P06746 1/20 0.35
JAK1 P23458 2/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 2/20 0.34
TP53 P04637 1/20 0.34
JAK2 O60674 2/20 0.34
JAK3 P52333 1/20 0.34
TLR8 Q9NR97 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
KDR P35968 2/20 0.33
PIK3CA P42336 2/20 0.33
PIK3CB P42338 2/20 0.33
TDP1 Q9NUW8 1/20 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
SCHEMBL5368531 0.84 ITGB3 (0.37) ITGB3ITGA2BOPRM1OPRK1TSHR
SCHEMBL5376108 0.82 PARP1 (0.43)
SCHEMBL4656934 0.79 PARP2 (0.42) ALDH1A1
SCHEMBL4656278 0.79 SMN1; SMN2 (0.49) OPRM1SMN1; SMN2
SCHEMBL4656569 0.76 ALDH1A1 (0.36) OPRM1KDM4EALDH1A1TP53LMNA
SCHEMBL4654387 0.76 PARP1 (0.44) ALDH1A1LMNAKMT2A
SCHEMBL33525767 0.76 NOS3 (0.36) OPRM1OPRK1POLBKMT2A
SCHEMBL4654485 0.75 OPRM1 (0.38) OPRM1OPRK1KDM4EALDH1A1LMNA
SCHEMBL4654650 0.75 PARP2 (0.43) OPRM1OPRK1
SCHEMBL4655667 0.75 PARP2 (0.41) OPRM1OPRK1

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 ITGB3 2577/4885ITGA2B 1569/4885OPRM1 4572/4885
US-20050096309-A1 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors TFPI, F12, F5 ITGB3 2577/4885ITGA2B 1569/4885OPRM1 4572/4885

“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.