SCHEMBL5376775

SCHEMBL5376775

NC1CCN(C2CCN(CCCCO)CC2)C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 1/20 0.39
APEX1 P27695 1/20 0.39
GNAI3 P08754 1/20 0.34
GNAO1 P09471 1/20 0.34
GNAI1 P63096 1/20 0.34
CHRM2 P08172 7/20 0.33
CHRM3 P20309 7/20 0.33
CHRM4 P08173 6/20 0.33
CHRM5 P08912 6/20 0.33
CHRM1 P11229 6/20 0.33
DRD2 P14416 3/20 0.33
DRD4 P21917 3/20 0.33
DRD3 P35462 3/20 0.33
LMNA P02545 1/20 0.33
MAOB P27338 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
SCHEMBL4655432 0.92 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1CYP3A4TSHRTDP1
SCHEMBL4712761 0.82 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1CHRM2CHRM3CHRM4
SCHEMBL4655431 0.77 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1TDP1MAPTLMNA
SCHEMBL5368552 0.76 PARP2 (0.41) SMN1; SMN2CYP3A4TSHRTDP1MAPT
SCHEMBL15114594 0.74 CYP3A4 (0.44) SMN1; SMN2CYP3A4TSHRTDP1MAPT
SCHEMBL33525707 0.73 CYP3A4 (0.45) ALDH1A1CYP3A4TSHRTDP1MAPT
SCHEMBL4761031 0.73 PARP2 (0.44) SMN1; SMN2CYP3A4TSHRTDP1MAPT
SCHEMBL6943841 0.71 GNAI3 (0.60) SMN1; SMN2ALDH1A1GNAI3GNAO1GNAI1
SCHEMBL31291962 0.71 CYP3A4 (0.48) CYP3A4TSHRTDP1MAPTAPEX1
SCHEMBL14932741 0.71 CYP3A4 (0.44) 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 SMN1; SMN2 2879/4885ALDH1A1 2753/4885CYP3A4 656/4885
US-20050096309-A1 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors TFPI, F12, F5 SMN1; SMN2 2879/4885ALDH1A1 2753/4885CYP3A4 656/4885

“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.