SCHEMBL5368552

SCHEMBL5368552

CCN1CCC(N2CCC(N)C2=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP2 Q9UGN5 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TSHR P16473 2/20 0.40
CYP3A4 P08684 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
KMT2A Q03164 1/20 0.35
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33
HSD11B1 P28845 1/20 0.32
PRKCG P05129 1/20 0.31
PRKCB P05771 1/20 0.31
SRC P12931 1/20 0.31
PRKCA P17252 1/20 0.31
PRKCH P24723 1/20 0.31
PRKCE Q02156 1/20 0.31
PRKCZ Q05513 1/20 0.31
PRKCD Q05655 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
SCHEMBL4656280 0.90 PARP2 (0.40) PARP2SMN1; SMN2TSHRCYP3A4TDP1
SCHEMBL4761031 0.82 PARP2 (0.44) PARP2SMN1; SMN2TSHRCYP3A4TDP1
SCHEMBL15114594 0.80 CYP3A4 (0.44) PARP2SMN1; SMN2TSHRCYP3A4TDP1
SCHEMBL20962673 0.79 PARP2 (0.41) PARP2SMN1; SMN2KMT2AOPRM1OPRL1
SCHEMBL33525707 0.79 CYP3A4 (0.45) TSHRCYP3A4TDP1MAPTAPEX1
SCHEMBL5368548 0.78 SMN1; SMN2 (0.51) PARP2SMN1; SMN2MAPTKMT2AOPRM1
SCHEMBL31291962 0.77 CYP3A4 (0.48) TSHRCYP3A4TDP1MAPTAPEX1
SCHEMBL14932741 0.77 CYP3A4 (0.44) TSHRCYP3A4TDP1MAPTAPEX1
SCHEMBL5376775 0.76 SMN1; SMN2 (0.40) SMN1; SMN2TSHRCYP3A4TDP1MAPT
SCHEMBL4626256 0.76 DPP4 (0.42) PARP2TSHRCYP3A4TDP1MAPT

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 PARP2 3321/4885SMN1; SMN2 2879/4885TSHR 1888/4885
US-20050096309-A1 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors TFPI, F12, F5 PARP2 3321/4885SMN1; SMN2 2879/4885TSHR 1888/4885

“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.