SCHEMBL4958550

SCHEMBL4958550

CC1CCN(C(=O)[CH]C(C)(C)C(N)=O)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.44
GAA P10253 2/20 0.44
LMNA P02545 2/20 0.44
ALDH1A1 P00352 7/20 0.41
NPC1 O15118 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ACHE P22303 1/20 0.37
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAOB P27338 1/20 0.35
PHGDH O43175 1/20 0.35
MGLL Q99685 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
TP53 P04637 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
SCHEMBL4957156 0.83 LMNA (0.35) HPGDGAALMNAALDH1A1NPC1
SCHEMBL14655576 0.82 SPR (0.34) HPGDGAALMNA
SCHEMBL4959105 0.82 ALDH1A1 (0.38) HPGDALDH1A1NPC1MEN1KMT2A
SCHEMBL11972110 0.82 ALDH1A1 (0.35) LMNAALDH1A1NPC1MEN1KMT2A
SCHEMBL14655512 0.81 DPP4 (0.35) HPGDGAALMNA
SCHEMBL6135710 0.80 ALDH1A1 (0.41) HPGDALDH1A1NPC1MEN1KMT2A
SCHEMBL15203494 0.79 CYP1A2 (0.42) HPGDALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL4959135 0.79 CYP1A2 (0.42) HPGDGAAALDH1A1POLBHTT
SCHEMBL3318510 0.77 CA2 (0.38) HPGDGAACA12CA1CA2
SCHEMBL4954278 0.77 SMN1; SMN2 (0.43) HPGDLMNAALDH1A1NPC1MEN1

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 8 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

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 HPGD 3112/4885GAA 4040/4885LMNA 1483/4885
US-20050014702-A1 Antibacterial agents CBR3, CBR1, SIGMAR1 HPGD 3112/4885GAA 4040/4885LMNA 1483/4885
US-20020165167-A1 Antibacterial agents CBR1, CBR3, SIGMAR1 HPGD 3956/4885GAA 4251/4885LMNA 578/4885

“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.