SCHEMBL5376875

SCHEMBL5376875

CN[C@H]1CC[C@H](N2CCC(N)C2=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPT P10636 1/20 0.40
APEX1 P27695 1/20 0.40
DPP4 P27487 3/20 0.37
NOS1 P29475 3/20 0.31
NOS2 P35228 3/20 0.31
NOS3 P29474 2/20 0.31
SLC6A2 P23975 1/20 0.31
KCNH2 Q12809 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL3734646 0.82 CYP3A4 (0.37) CYP3A4TSHRTDP1MAPTAPEX1
SCHEMBL3738574 0.82 CYP3A4 (0.37) CYP3A4TSHRTDP1MAPTAPEX1
SCHEMBL25030407 0.82 CYP3A4 (0.37) CYP3A4TSHRTDP1MAPTAPEX1
SCHEMBL33525707 0.79 CYP3A4 (0.45) CYP3A4TSHRTDP1MAPTAPEX1
SCHEMBL5376874 0.78 MEN1 (0.33) NOS1NOS2NOS3SLC6A2KCNH2
SCHEMBL31291962 0.77 CYP3A4 (0.48) CYP3A4TSHRTDP1MAPTAPEX1
SCHEMBL15114594 0.77 CYP3A4 (0.44) CYP3A4TSHRTDP1MAPTAPEX1
SCHEMBL5390425 0.76 DPP4 (0.42) CYP3A4TSHRTDP1MAPTAPEX1
SCHEMBL14932741 0.73 CYP3A4 (0.44) CYP3A4TSHRTDP1MAPTAPEX1
SCHEMBL4626256 0.72 DPP4 (0.42) CYP3A4TSHRTDP1MAPTAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7312218-B2 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors BRISTOL MYERS SQUIBB CO. (US) 2007-12-25 US claimed
US-20070099922-A1 SULFONYLAMINOVALEROLACTAMS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS HAN WEI 2007-05-03 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 CYP3A4 656/4885TSHR 1888/4885TDP1 3477/4885
US-20050096309-A1 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors TFPI, F12, F5 CYP3A4 656/4885TSHR 1888/4885TDP1 3477/4885

“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.