SCHEMBL20912151

SCHEMBL20912151

CC(C)(O)CN1CCN(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.44
SCN9A Q15858 1/20 0.37
DRD2 P14416 4/20 0.37
DRD3 P35462 4/20 0.37
KCNH2 Q12809 3/20 0.37
HDAC1 Q13547 1/20 0.36
LPL P06858 6/20 0.36
LIPG Q9Y5X9 6/20 0.36
RAB9A P51151 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA3 P07451 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CA5B Q9Y2D0 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
SCHEMBL20911653 0.79 DRD2 (0.47) DRD2DRD3KCNH2HDAC1LPL
SCHEMBL22604371 0.78 DRD2 (0.38) DRD2DRD3KCNH2RAB9ACA12
SCHEMBL20911965 0.77 HDAC1 (0.45) SCN9ADRD2DRD3KCNH2HDAC1
SCHEMBL16611640 0.77 CA1 (0.42) LPLLIPGRAB9ACA12CA1
SCHEMBL14852607 0.75 LPL (0.42) LPLLIPGCA12CA1CA2
SCHEMBL16610701 0.74 USP30 (0.43) SCN9ALPLLIPGCA12CA1
SCHEMBL17913024 0.72 PKM (0.67) DRD2DRD3KCNH2HDAC1RAB9A
SCHEMBL31010012 0.71 LIPG (0.43) DRD2DRD3KCNH2LPLLIPG
SCHEMBL23546470 0.71 CA1 (0.44) LPLLIPGRAB9ACA12CA1
SCHEMBL30899959 0.70 FFAR1 (0.48) FFAR1LPLLIPGCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11795169-B2 MAP4K4 inhibitors IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2023-10-24 US disclosed
US-11795169-B2 MAP4K4 inhibitors IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2023-10-24 US disclosed
US-20200339583-A1 MAP4K4 INHIBITORS IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2020-10-29 US disclosed
WO-2019073253-A1 MAP4K4 INHIBITORS IMPERIAL INNOVATIONS LIMITED (GB) 2019-04-18 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-20200339583-A1 MAP4K4 INHIBITORS MAP4K4, MAP4K2, MAP4K5 FFAR1 4079/4885SCN9A 4339/4885DRD2 4784/4885
US-11795169-B2 MAP4K4 inhibitors MAP4K4, MAP4K2, MAP4K5 FFAR1 4079/4885SCN9A 4339/4885DRD2 4784/4885

“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.