SCHEMBL20137269

SCHEMBL20137269

O=C(O)C1CC(OCCOCCOCCOCCOCc2ccccc2)CN1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
LIPG Q9Y5X9 1/20 0.39
EPHX2 P34913 2/20 0.39
CTSC P53634 1/20 0.39
AGTR2 P50052 3/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
GRIK1 P39086 2/20 0.37
GRIA2 P42262 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
SCHEMBL28901075 1.00 DRD2 (0.41) DRD2DRD3LIPGEPHX2CTSC
SCHEMBL23462268 0.99 DRD2 (0.41) DRD2DRD3LIPGEPHX2CTSC
SCHEMBL20137259 0.88 DRD2 (0.44) DRD2DRD3LIPGEPHX2CTSC
SCHEMBL23489128 0.86 DRD2 (0.45) DRD2DRD3LIPGEPHX2CTSC
SCHEMBL6374726 0.86 CTSC (0.44) EPHX2CTSCAGTR2GRIK1GRIA2
SCHEMBL1006306 0.86 CTSC (0.44) EPHX2CTSCAGTR2GRIK1GRIA2
SCHEMBL5802417 0.86 CTSC (0.44) EPHX2CTSCAGTR2GRIK1GRIA2
SCHEMBL16920345 0.86 CTSC (0.44) EPHX2CTSCAGTR2GRIK1GRIA2
SCHEMBL1006316 0.86 CTSC (0.44) EPHX2CTSCAGTR2GRIK1GRIA2
SCHEMBL1768681 0.86 CTSC (0.44) EPHX2CTSCAGTR2GRIK1GRIA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3286169-B1 PROTAC COMPOUNDS MODULATING RIP2 KINASE ACTIVITY GLAXOSMITHKLINE IP DEV LTD (GB) 2020-10-07 EP disclosed
US-10435391-B2 Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-10-08 US disclosed
US-20180134688-A1 NOVEL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-05-17 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-10435391-B2 Compounds RIPK2, RIPK1, RIPK4 DRD2 4536/4885DRD3 4668/4885LIPG 874/4885
US-20180134688-A1 NOVEL COMPOUNDS RIPK2, RIPK1, RIPK4 DRD2 4614/4885DRD3 4705/4885LIPG 737/4885

“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.