SCHEMBL4655432

SCHEMBL4655432

NC1CCCN(C2CCN(CCCCO)CC2)C1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.47
ALDH1A1 P00352 3/20 0.47
LMNA P02545 1/20 0.40
MAPT P10636 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
KDM4E B2RXH2 2/20 0.34
THRB P10828 1/20 0.34
RAD52 P43351 1/20 0.34
RECQL P46063 1/20 0.34
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
APEX1 P27695 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GNAI3 P08754 1/20 0.33
GNAO1 P09471 1/20 0.33
GNAI1 P63096 1/20 0.33
CHRM2 P08172 5/20 0.32
CHRM4 P08173 5/20 0.32
CHRM5 P08912 5/20 0.32

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
SCHEMBL5376775 0.92 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1LMNAMAPTTDP1
SCHEMBL4655431 0.83 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1LMNAMAPTTDP1
SCHEMBL4656280 0.78 PARP2 (0.40) SMN1; SMN2MAPTTDP1CYP3A4TSHR
SCHEMBL4712761 0.77 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1LMNAMEN1KMT2A
SCHEMBL4656939 0.76 CYP3A4 (0.37) ALDH1A1MAPTTDP1CYP3A4TSHR
SCHEMBL31228098 0.75 CYP3A4 (0.42) SMN1; SMN2ALDH1A1MAPTTDP1CYP3A4
SCHEMBL2598560 0.72 CYP3A4 (0.38) MAPTTDP1CYP3A4TSHRAPEX1
SCHEMBL17770870 0.71 MAPT (0.42) ALDH1A1MAPTTDP1CYP3A4TSHR
SCHEMBL12527920 0.71 MAPT (0.42) ALDH1A1MAPTTDP1CYP3A4TSHR
SCHEMBL4654654 0.71 OPRM1 (0.41) MAPTTDP1CYP3A4TSHRAPEX1

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 SMN1; SMN2 2879/4885ALDH1A1 2753/4885LMNA 558/4885
US-20050096309-A1 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors TFPI, F12, F5 SMN1; SMN2 2879/4885ALDH1A1 2753/4885LMNA 558/4885

“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.