SCHEMBL5368531

SCHEMBL5368531

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.37
ITGA2B P08514 3/20 0.37
JAK1 P23458 2/20 0.36
KDM4E B2RXH2 1/20 0.36
JAK2 O60674 2/20 0.35
JAK3 P52333 1/20 0.35
TLR8 Q9NR97 1/20 0.34
PIK3CA P42336 6/20 0.34
KDR P35968 3/20 0.34
PIK3CB P42338 3/20 0.34
MTOR P42345 4/20 0.33
KIT P10721 1/20 0.33
FLT3 P36888 1/20 0.33
BTK Q06187 1/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CG P48736 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRK1 P41145 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 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
SCHEMBL5368526 0.84 ITGB3 (0.36) ITGB3ITGA2BJAK1KDM4EJAK2
SCHEMBL5376111 0.81 PARP1 (0.42) CYP3A4TSHRTDP1MAPTAPEX1
SCHEMBL2598560 0.80 CYP3A4 (0.38) CYP3A4TSHRTDP1MAPTAPEX1
SCHEMBL794430 0.75 FPR2 (0.48) KDM4EMAPT
SCHEMBL794429 0.75 FPR2 (0.48) KDM4EMAPT
SCHEMBL4656939 0.75 CYP3A4 (0.37) CYP3A4TSHRTDP1MAPTAPEX1
SCHEMBL31228098 0.74 CYP3A4 (0.42) CYP3A4TSHRTDP1MAPTAPEX1
SCHEMBL25873180 0.74 CYP3A4 (0.42) CYP3A4TSHRTDP1MAPTAPEX1
SCHEMBL4656280 0.74 PARP2 (0.40) OPRM1CYP3A4TSHRTDP1MAPT
SCHEMBL2687834 0.72 GNAI3 (0.53) ITGB3ITGA2BJAK1KDM4EOPRM1

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 1569/4885JAK1 1737/4885
US-20050096309-A1 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors TFPI, F12, F5 ITGB3 2577/4885ITGA2B 1569/4885JAK1 1737/4885

“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.