SCHEMBL4654486

SCHEMBL4654486

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

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.39
OPRL1 P41146 3/20 0.39
DPP4 P27487 4/20 0.35
HRH3 Q9Y5N1 1/20 0.34
OPRK1 P41145 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KDM4E B2RXH2 1/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MAPT P10636 1/20 0.32
APEX1 P27695 1/20 0.32
DRD2 P14416 1/20 0.31
DRD3 P35462 1/20 0.31
PARP1 P09874 1/20 0.30
PARP2 Q9UGN5 1/20 0.30

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
SCHEMBL4656571 0.87 DPP4 (0.33) OPRM1OPRL1DPP4ALDH1A1KDM4E
SCHEMBL4626141 0.86 PARP1 (0.40) DPP4HRH3CYP3A4TSHRTDP1
SCHEMBL4654485 0.81 OPRM1 (0.38) OPRM1OPRL1DPP4HRH3OPRK1
SCHEMBL4656280 0.80 PARP2 (0.40) OPRM1OPRL1DPP4CYP3A4TSHR
SCHEMBL20965416 0.79 OPRM1 (0.40) OPRM1OPRL1HRH3ALDH1A1TDP1
SCHEMBL4656939 0.78 CYP3A4 (0.37) DPP4ALDH1A1CYP3A4TSHRTDP1
SCHEMBL31228098 0.77 CYP3A4 (0.42) DPP4ALDH1A1CYP3A4TSHRTDP1
SCHEMBL25873180 0.77 CYP3A4 (0.42) DPP4ALDH1A1CYP3A4TSHRTDP1
SCHEMBL4626256 0.76 DPP4 (0.42) DPP4HRH3ALDH1A1CYP3A4TSHR
SCHEMBL9977211 0.76 DPP4 (0.46) DPP4ALDH1A1CYP3A4TSHRTDP1

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
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
EP-1667635-A4 SULFONYLAMINOVALEROLACTAMS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-01-23 EP disclosed
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
EP-1667635-A2 SULFONYLAMINOVALEROLACTAMS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS Bristol-Myers Squibb Company (US) 2006-06-14 EP disclosed
WO-2005048922-A2 SULFONYLAMINOVALEROLACTAMS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-06-02 WO 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 OPRM1 4572/4885OPRL1 4373/4885DPP4 255/4885
US-20050096309-A1 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors TFPI, F12, F5 OPRM1 4572/4885OPRL1 4373/4885DPP4 255/4885

“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.