SCHEMBL20911965

SCHEMBL20911965

CC(C)(O)CN1CCN(c2ccc(Br)cc2)C1=O

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 9/20 0.45
SCN9A Q15858 1/20 0.42
DRD2 P14416 5/20 0.42
DRD3 P35462 5/20 0.42
KCNH2 Q12809 1/20 0.42
RAB9A P51151 1/20 0.42
CYP1A1 P04798 1/20 0.40
PER2 O15055 1/20 0.38
S1PR1 P21453 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
SCHEMBL17080578 0.77 DRD2 (0.48) HDAC1DRD2DRD3KCNH2RAB9A
SCHEMBL20912151 0.77 FFAR1 (0.44) HDAC1SCN9ADRD2DRD3KCNH2
SCHEMBL31317662 0.75 SCN9A (0.39) SCN9APER2
SCHEMBL20911963 0.73 DRD2 (0.48) HDAC1DRD2DRD3KCNH2RAB9A
SCHEMBL29348992 0.73 PER2 (0.41) HDAC1DRD2DRD3RAB9ACYP1A1
SCHEMBL22582347 0.72 DRD2 (0.42) HDAC1DRD2DRD3KCNH2RAB9A
SCHEMBL16915090 0.72 HDAC1 (0.67) HDAC1DRD2DRD3RAB9A
SCHEMBL1207386 0.72 RAB9A (0.37) HDAC1DRD2DRD3KCNH2RAB9A
SCHEMBL20911964 0.71 DRD2 (0.46) HDAC1DRD2DRD3KCNH2RAB9A
SCHEMBL19297530 0.71 RAB9A (0.45) HDAC1DRD2DRD3RAB9A

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 HDAC1 2049/4885SCN9A 4339/4885DRD2 4784/4885
US-11795169-B2 MAP4K4 inhibitors MAP4K4, MAP4K2, MAP4K5 HDAC1 2049/4885SCN9A 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.