SCHEMBL4655669

SCHEMBL4655669

NC1CCCN(C2CCN(C3CCC3)CC2)C1=O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.37
OPRL1 P41146 3/20 0.37
OPRK1 P41145 3/20 0.37
OPRD1 P41143 2/20 0.37
OGFRL1 Q5TC84 2/20 0.37
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAPT P10636 1/20 0.36
APEX1 P27695 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
L3MBTL3 Q96JM7 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
DPP4 P27487 2/20 0.34
PARP1 P09874 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
SCHEMBL4654654 0.97 OPRM1 (0.41) OPRM1OPRL1OPRK1OPRD1OGFRL1
SCHEMBL5376150 0.95 OPRM1 (0.43) OPRM1OPRL1OPRK1OPRD1OGFRL1
SCHEMBL25873180 0.91 CYP3A4 (0.42) CYP3A4TSHRTDP1MAPTAPEX1
SCHEMBL5376558 0.88 OPRM1 (0.41) OPRM1OPRL1OPRK1OPRD1OGFRL1
SCHEMBL5371521 0.87 PARP1 (0.42) OPRM1OPRK1OPRD1OGFRL1CYP3A4
SCHEMBL31228098 0.87 CYP3A4 (0.42) CYP3A4TSHRTDP1MAPTAPEX1
SCHEMBL5381519 0.86 OPRM1 (0.44) OPRM1OPRL1OPRK1OPRD1OGFRL1
SCHEMBL17770871 0.85 MAPT (0.41) CYP3A4TSHRTDP1MAPTAPEX1
SCHEMBL12528394 0.85 MAPT (0.41) CYP3A4TSHRTDP1MAPTAPEX1
Hydrochloric Acid SCHEMBL12495232 0.84 MAPT (0.39) 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1667635-A4 SULFONYLAMINOVALEROLACTAMS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-01-23 EP claimed
US-7169795-B2 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors BRISTOL MYERS SQUIBB COMPANY (US) 2007-01-30 US claimed
EP-1667635-A2 SULFONYLAMINOVALEROLACTAMS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS Bristol-Myers Squibb Company (US) 2006-06-14 EP claimed
WO-2005048922-A2 SULFONYLAMINOVALEROLACTAMS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-06-02 WO 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 4373/4885OPRK1 4096/4885
US-20050096309-A1 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors TFPI, F12, F5 OPRM1 4572/4885OPRL1 4373/4885OPRK1 4096/4885

“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.