SCHEMBL13612395

SCHEMBL13612395

CC(C)(C)OC(=O)Nc1cc(CN2CCC(C(=O)N3CCC(Oc4c(Br)csc4C=O)CC3)CC2)ccn1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TBK1 Q9UHD2 19/20 0.39
▸ BCHE P06276 1/20 0.38
▸ ACHE P22303 1/20 0.38
▸ GSK3B P49841 1/20 0.38
▸ IKBKE Q14164 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
SCHEMBL13060207 0.92 TBK1 (0.39) TBK1BCHEACHEGSK3BIKBKE
SCHEMBL13060400 0.89 TBK1 (0.40) TBK1BCHEACHEGSK3B
SCHEMBL13060440 0.87 TBK1 (0.38) TBK1BCHEGSK3BIKBKE
SCHEMBL13605230 0.86 TBK1 (0.40) TBK1IKBKE
SCHEMBL12533228 0.83 ACKR3 (0.42) TBK1
SCHEMBL13060396 0.81 ACKR3 (0.45) TBK1GSK3B
SCHEMBL8225788 0.80 GSK3B (0.47) TBK1GSK3B
SCHEMBL12533226 0.79 ACKR3 (0.43) TBK1
SCHEMBL13003316 0.79 TBK1 (0.40) TBK1IKBKE
SCHEMBL13390971 0.78 ACKR3 (0.42) TBK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7635705-B2 treating allergy-induced airway responses, congestion, obesity, metabolic syndrome, alcoholic fatty liver disease, hepatic steatosis, nonalcoholic steatohepatitis, cirrhosis, hepatacellular carcinoma and cognition deficit disorders; histamine H3 antagonists SCHERING CORPORATION (US) 2009-12-22 — — US disclosed
US-20070015807-A1 Heteroatom-linked substituted piperidines and derivatives thereof useful as histamine H3 antagonists SCHERING CORPORATION 2007-01-18 — — 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 (1 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-20070015807-A1 Heteroatom-linked substituted piperidines and derivatives thereof useful as histamine H3 antagonists HRH3, HRH4, CHRM2 TBK1 4090/4885BCHE 137/4885ACHE 1962/4885

“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.

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