SCHEMBL20137259

SCHEMBL20137259

COC(=O)[C@@H]1C[C@H](OCCOCCOCCOCCOCc2ccccc2)CN1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.44
DRD3 P35462 2/20 0.44
CTSC P53634 1/20 0.43
EPHX2 P34913 2/20 0.39
CPB1 P15086 1/20 0.38
CYP2C9 P11712 3/20 0.37
CYP2C19 P33261 3/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 2/20 0.37
TSHR P16473 2/20 0.37
LIPG Q9Y5X9 1/20 0.37
POLB P06746 1/20 0.37
CYP3A4 P08684 1/20 0.37
CHEK2 O96017 2/20 0.36
PIM1 P11309 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
BACE1 P56817 1/20 0.36

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
SCHEMBL23489128 0.99 DRD2 (0.45) DRD2DRD3CTSCEPHX2CPB1
SCHEMBL28901075 0.88 DRD2 (0.41) DRD2DRD3CTSCEPHX2LIPG
SCHEMBL20137269 0.88 DRD2 (0.41) DRD2DRD3CTSCEPHX2LIPG
SCHEMBL15099494 0.88 CTSC (0.48) CTSCEPHX2CPB1CYP2C9CYP2C19
SCHEMBL8693462 0.88 CTSC (0.48) CTSCEPHX2CPB1CYP2C9CYP2C19
SCHEMBL8690915 0.88 CTSC (0.48) CTSCEPHX2CPB1CYP2C9CYP2C19
SCHEMBL23462268 0.87 DRD2 (0.41) DRD2DRD3CTSCEPHX2LIPG
Hydrochloric Acid SCHEMBL3053757 0.87 CTSC (0.47) CTSCEPHX2CPB1CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL7323379 0.87 CTSC (0.47) CTSCEPHX2CPB1CYP2C9CYP2C19
SCHEMBL23462212 0.83 DRD2 (0.37) DRD2DRD3CTSCEPHX2CPB1

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
EP-3286169-B1 PROTAC COMPOUNDS MODULATING RIP2 KINASE ACTIVITY GLAXOSMITHKLINE IP DEV LTD (GB) 2020-10-07 EP disclosed
EP-3286169-B1 PROTAC COMPOUNDS MODULATING RIP2 KINASE ACTIVITY GLAXOSMITHKLINE IP DEV LTD (GB) 2020-10-07 EP disclosed
CN-107709305-B Novel compound 葛兰素史克知识产权开发有限公司 2020-09-29 CN disclosed
US-10435391-B2 Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-10-08 US 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
US-20180134688-A1 NOVEL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-05-17 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 4668/4885CTSC 934/4885
US-20180134688-A1 NOVEL COMPOUNDS RIPK2, RIPK1, RIPK4 DRD2 4614/4885DRD3 4705/4885CTSC 607/4885

“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.