SCHEMBL5264265

SCHEMBL5264265

O=C(O)C1CCC(NCc2cc3cccnc3[nH]2)CC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.46
DRD2 P14416 2/20 0.43
DRD4 P21917 2/20 0.43
DRD3 P35462 2/20 0.43
GCK P35557 4/20 0.40
DAO P14920 1/20 0.40
CNR2 P34972 1/20 0.39
SSTR3 P32745 1/20 0.39
HRH4 Q9H3N8 1/20 0.38
CCNK O75909 1/20 0.38
CDK12 Q9NYV4 1/20 0.38
LTA4H P09960 1/20 0.38
VCP P55072 1/20 0.38

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
SCHEMBL5264262 1.00 RIPK1 (0.46) RIPK1DRD2DRD4DRD3GCK
SCHEMBL6666307 0.89 RIPK1 (0.45) RIPK1DRD2DRD4DRD3GCK
SCHEMBL5262933 0.77 SLC2A1 (0.46) SSTR3LTA4H
SCHEMBL5262938 0.77 SLC2A1 (0.46) SSTR3LTA4H
SCHEMBL27151128 0.75 DAO (0.49) RIPK1DRD2DRD4DRD3DAO
SCHEMBL14341200 0.74 KCNH2 (0.62)
SCHEMBL5258175 0.73 SLC2A1 (0.40) DRD2SSTR3LTA4H
SCHEMBL29587495 0.72 DAO (0.51) RIPK1DRD2DRD4DRD3DAO
SCHEMBL18361821 0.71 RIPK1 (0.48) RIPK1DRD2DRD4DRD3DAO
SCHEMBL1100944 0.70 DAO (0.49) RIPK1DRD2DRD4DRD3DAO

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 9 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-A1 NITROGEN-CONTAINING BICYCLIC HETEROCYCLES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2004-03-24 EP claimed
WO-2003087098-A1 NITROGEN-CONTAINING BICYCLIC HETEROCYCLES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM P.L.C. (GB) 2003-10-23 WO 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 RIPK1 2480/4885DRD2 2301/4885DRD4 2443/4885
US-20070135422-A1 Nitrogen-containing bicycle heterocycles for use as antibacterials NRDC, NUCB2, NISCH RIPK1 2009/4885DRD2 2150/4885DRD4 2386/4885

“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.