SCHEMBL4956038

SCHEMBL4956038

C[C@H](N)C(=O)NN1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
CYP2D6 P10635 1/20 0.44
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
PKM P14618 1/20 0.42
EPHX2 P34913 1/20 0.39
KDM4E B2RXH2 2/20 0.38
LIPE Q05469 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL28671676 1.00 SMN1; SMN2 (0.45) SMN1; SMN2NPC1RAB9ACYP2D6CA12
SCHEMBL4957038 1.00 SMN1; SMN2 (0.45) SMN1; SMN2NPC1RAB9ACYP2D6CA12
Hydrochloric Acid SCHEMBL7307224 0.98 SMN1; SMN2 (0.44) SMN1; SMN2NPC1RAB9ACYP2D6CA12
SCHEMBL14355566 0.84 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9ACYP2D6CA12
Hydrochloric Acid SCHEMBL6044177 0.84 SMN1; SMN2 (0.42) SMN1; SMN2NPC1RAB9ACYP2D6CA12
Hydrochloric Acid SCHEMBL8684138 0.84 SMN1; SMN2 (0.42) SMN1; SMN2NPC1RAB9ACYP2D6CA12
SCHEMBL9684035 0.82 L3MBTL1 (0.39) CA12CA2CA9KDM4EHTT
SCHEMBL28682071 0.82 L3MBTL1 (0.42) CA12CA2CA9KDM4ELIPE
SCHEMBL8869669 0.82 L3MBTL1 (0.42) CA12CA2CA9KDM4ELIPE
SCHEMBL12260227 0.80 DPP4 (0.41) SMN1; SMN2NPC1RAB9AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7323448-B2 Antibacterial agents BRITISH BIOTECH PHARMACEUTICALS LTD. (GB) 2008-01-29 US disclosed
US-7148198-B2 Antibacterial agents BRITISH BIOTECH PHARMACEUTICALS, LTD. (GB) 2006-12-12 US disclosed
US-20060276409-A1 Antibacterial agents BRITISH BIOTECH PHARMACEUTICALS LTD. (GB) 2006-12-07 US disclosed
US-20050014702-A1 Antibacterial agents BRITISH BIOTECH PHARMACEUTICALS LTD. (GB) 2005-01-20 US disclosed
US-6787522-B2 BACTERIAL POLYPEPTIDE DEFORMYLASE (PDF) INHIBITORS, N-FORMYL HYDROXYLAMINE DERIVATIVES BRITISH BIOTECH PHARMACEUTICALS (GB) 2004-09-07 US disclosed
EP-1052984-B1 ANTIBACTERIAL AGENTS VERNALIS OXFORD LTD (GB) 2004-05-12 EP disclosed
US-20020165167-A1 Antibacterial agents BRITISH BIOTECH PHARMACEUTICALS LTD. (GB) 2002-11-07 US disclosed
US-6423690-B1 Antibacterial agents BRITISH BIOTECH PHARMACEUTICALS LTD. (GB) 2002-07-23 US disclosed
EP-1052984-A1 ANTIBACTERIAL AGENTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2000-11-22 EP disclosed
WO-1999039704-A1 ANTIBACTERIAL AGENTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1999-08-12 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 (3 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-20060276409-A1 Antibacterial agents CBR3, CBR1, SIGMAR1 SMN1; SMN2 3090/4885NPC1 1406/4885RAB9A 1082/4885
US-20050014702-A1 Antibacterial agents CBR3, CBR1, SIGMAR1 SMN1; SMN2 3090/4885NPC1 1406/4885RAB9A 1082/4885
US-20020165167-A1 Antibacterial agents CBR1, CBR3, SIGMAR1 SMN1; SMN2 3034/4885NPC1 1086/4885RAB9A 1860/4885

“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.