SCHEMBL5264658

SCHEMBL5264658

COc1ccc2nccc(CCC3(O)CCC(NC(=O)OC(C)(C)C)CC3)c2n1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 11/20 0.47
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41

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
SCHEMBL14610728 0.83 KCNH2 (0.66) KCNH2
SCHEMBL31623742 0.83 KCNH2 (0.66) KCNH2
SCHEMBL3243307 0.81 KCNH2 (0.44) KCNH2
SCHEMBL3251995 0.81 KCNH2 (0.44) KCNH2
SCHEMBL3251999 0.81 KCNH2 (0.44) KCNH2
SCHEMBL3960269 0.81 KCNH2 (0.41) KCNH2
SCHEMBL3698422 0.80 KCNH2 (0.43) KCNH2
SCHEMBL2537288 0.80 KCNH2 (0.44) KCNH2MTNR1AMTNR1B
SCHEMBL2537286 0.80 KCNH2 (0.44) KCNH2MTNR1AMTNR1B
SCHEMBL3374498 0.80 KCNH2 (0.44) KCNH2MTNR1AMTNR1B

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
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
EP-1399443-A1 NITROGEN-CONTAINING BICYCLIC HETEROCYCLES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2004-03-24 EP disclosed
WO-2003087098-A1 NITROGEN-CONTAINING BICYCLIC HETEROCYCLES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM P.L.C. (GB) 2003-10-23 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 (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 KCNH2 3311/4885MTNR1A 3439/4885MTNR1B 3588/4885
US-20070135422-A1 Nitrogen-containing bicycle heterocycles for use as antibacterials NRDC, NUCB2, NISCH KCNH2 2699/4885MTNR1A 3698/4885MTNR1B 3602/4885

“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.