SCHEMBL5605488

SCHEMBL5605488

O=C(O)CN1CCCC1N1CCNCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 2/20 0.36
CHRM3 P20309 2/20 0.36
SIGMAR1 Q99720 2/20 0.36
CHRNB2 P17787 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
CHRNB3 Q05901 1/20 0.34
CHRNA6 Q15825 1/20 0.34
ACE P12821 1/20 0.33
ITGB3 P05106 3/20 0.32
ITGA2B P08514 3/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CA2 P00918 1/20 0.32
CHKA P35790 1/20 0.32
LTA4H P09960 1/20 0.31
GABRA5 P31644 2/20 0.31
GABRB2 P47870 2/20 0.31
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31

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
SCHEMBL30938358 0.77 CHRNB2 (0.37) CHRM5CHRM3SIGMAR1CHRNB2CHRNA3
SCHEMBL3153133 0.75 HTR6 (0.31)
SCHEMBL2552216 0.72 HTR6 (0.39) CHRM5CHRM3SIGMAR1CHRNB2CHRNA3
SCHEMBL28112798 0.71 HTR6 (0.38) CHRM5CHRM3SIGMAR1
SCHEMBL3153303 0.70 HTR6 (0.37) CHRM5CHRM3SIGMAR1
SCHEMBL7763371 0.69 POLB (0.52) ACEALDH1A1LTA4H
SCHEMBL3556743 0.69 ITGB3 (0.47) CHRM5CHRM3SIGMAR1CHRNB2CHRNA3
SCHEMBL3153126 0.69 CHRM5 (0.36) CHRM5CHRM3SIGMAR1CHRNB2CHRNA3
SCHEMBL29952267 0.69 ACE (0.40) ACELTA4H
SCHEMBL29952365 0.69 ACE (0.40) ACELTA4H

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 6 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
EP-1187847-B1 STREPTOGRAMIN DERIVATIVES, PREPARATION AND COMPOSITIONS CONTAINING THEM AVENTIS PHARMA SA (FR) 2003-12-03 EP 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
EP-1187847-A1 STREPTOGRAMIN DERIVATIVES, PREPARATION AND COMPOSITIONS CONTAINING THEM Aventis Pharma S.A. (FR) 2002-03-20 EP disclosed
WO-2001002427-A1 STREPTOGRAMIN DERIVATIVES, PREPARATION AND COMPOSITIONS CONTAINING THEM AVENTIS PHARMA S.A. (FR) 2001-01-11 WO 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 CHRM5 3735/4885CHRM3 4369/4885SIGMAR1 4318/4885

“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.