SCHEMBL5264158

SCHEMBL5264158

O=C1COc2cnc(CN[C@H]3CC[C@H](C(=O)O)C[C@@H]3O)cc2N1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.38
GAA P10253 1/20 0.36
KCNH2 Q12809 1/20 0.36
PARP1 P09874 2/20 0.35
TRPV1 Q8NER1 2/20 0.35
SYK P43405 2/20 0.34
MGLL Q99685 1/20 0.34
ALDH1A1 P00352 4/20 0.34
MAPT P10636 4/20 0.34
SMYD3 Q9H7B4 1/20 0.34
NR3C2 P08235 1/20 0.34
MALT1 Q9UDY8 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
TSHR P16473 1/20 0.33
PKM P14618 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
SCHEMBL5261417 1.00 MAOA (0.38) MAOAGAAKCNH2PARP1TRPV1
SCHEMBL5261316 0.81 HTT (0.36) MAOATRPV1ALDH1A1
SCHEMBL5262406 0.81 HTT (0.36) MAOATRPV1ALDH1A1
SCHEMBL3584782 0.81 KCNH2 (0.44) KCNH2
SCHEMBL3573168 0.80 KCNH2 (0.45) KCNH2
SCHEMBL5263291 0.80 KCNH2 (0.45) KCNH2
SCHEMBL3576397 0.80 KCNH2 (0.45) KCNH2
SCHEMBL6716030 0.77 KCNH2 (0.60) KCNH2
SCHEMBL14498876 0.77 KCNH2 (0.60) KCNH2
SCHEMBL14498879 0.77 KCNH2 (0.60) KCNH2

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
EP-1399443-B1 NITROGEN-CONTAINING BICYCLIC HETEROCYCLES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2007-12-12 EP claimed
US-7141564-B2 Nitrogen-containing bicyclic heterocycles for use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2006-11-28 US claimed
US-20040171620-A1 Nitrogen-containing bicyclic heterocycles for use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2004-09-02 US claimed
EP-1399443-B1 NITROGEN-CONTAINING BICYCLIC HETEROCYCLES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2007-12-12 EP disclosed
US-20070135422-A1 Nitrogen-containing bicycle heterocycles for use as antibacterials SMITHKLINE BEECHAM P.L.C. 2007-06-14 US disclosed
US-7141564-B2 Nitrogen-containing bicyclic heterocycles for use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2006-11-28 US disclosed
US-20040171620-A1 Nitrogen-containing bicyclic heterocycles for use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2004-09-02 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-20040171620-A1 Nitrogen-containing bicyclic heterocycles for use as antibacterials NRDC, NUCB2, NDC1 MAOA 1729/4885GAA 3702/4885KCNH2 3311/4885
US-20070135422-A1 Nitrogen-containing bicycle heterocycles for use as antibacterials NRDC, NUCB2, NISCH MAOA 1868/4885GAA 4056/4885KCNH2 2699/4885

“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.