SCHEMBL5605486

SCHEMBL5605486

O=C(O)C(N1CCCC1)N1CCNCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.43
CHKA P35790 1/20 0.43
OPRD1 P41143 6/20 0.38
DPP7 Q9UHL4 1/20 0.37
LMNA P02545 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA9 Q16790 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GAA P10253 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM3 P20309 1/20 0.35
KDM4E B2RXH2 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRK1 P41145 1/20 0.34
SIGMAR1 Q99720 2/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 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
SCHEMBL29132524 0.98 CA2 (0.47) CA2CHKAOPRD1DPP7LMNA
SCHEMBL3559523 0.84 DPP7 (0.48) DPP7LMNAMEN1KMT2AGAA
SCHEMBL11687527 0.84 DPP7 (0.48) DPP7LMNAMEN1KMT2AGAA
SCHEMBL28895832 0.75 DPP7 (0.40) CA2CHKAOPRD1DPP7LMNA
SCHEMBL19716571 0.74 SIGMAR1 (0.43) CA2CHKAOPRD1CA12CA1
SCHEMBL8313585 0.73 OPRD1 (0.40) CA2CHKAOPRD1CA12CA1
SCHEMBL11762915 0.72 GAA (0.42) DPP7LMNAMEN1KMT2AGAA
SCHEMBL27528184 0.72 CA2 (0.39) CA2CHKAOPRD1LMNAMEN1
SCHEMBL7591281 0.71 SIGMAR1 (0.44) CA2CHKAOPRD1CA12CA1
SCHEMBL905224 0.71 SIGMAR1 (0.44) CA2CHKAOPRD1CA12CA1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7166594-B2 Antibacterial activity AVENTIS PHARMA S.A. (FR) 2007-01-23 US disclosed
US-20030149004-A1 Streptogramin derivatives, their preparation and compositions containing them AVENTIS PHARMA S.A. 2003-08-07 US disclosed
US-6569854-B1 Virginamycins AVENTIS PHARMA S.A. (FR) 2003-05-27 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 (1 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-20030149004-A1 Streptogramin derivatives, their preparation and compositions containing them MRPL21, ABHD5, APEH CA2 3314/4885CHKA 2614/4885OPRD1 3786/4885

“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.