SCHEMBL13060440

SCHEMBL13060440

CC(C)(C)OC(=O)Nc1cc(CN2CCC(C(=O)N3CCC(Cc4c(Br)csc4C=O)CC3)CC2)ccn1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TBK1 Q9UHD2 14/20 0.38
▸ BCHE P06276 2/20 0.37
▸ GSK3B P49841 2/20 0.37
▸ ACKR3 P25106 2/20 0.36
▸ IKBKE Q14164 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
SCHEMBL13612395 0.87 TBK1 (0.39) TBK1BCHEGSK3BIKBKE
SCHEMBL13003313 0.85 TBK1 (0.39) TBK1IKBKE
SCHEMBL12533228 0.83 ACKR3 (0.42) TBK1ACKR3
SCHEMBL12533226 0.82 ACKR3 (0.43) TBK1ACKR3
SCHEMBL13060207 0.81 TBK1 (0.39) TBK1BCHEGSK3BIKBKE
SCHEMBL13060400 0.79 TBK1 (0.40) TBK1BCHEGSK3B
SCHEMBL13391102 0.78 ACKR3 (0.51) GSK3BACKR3
SCHEMBL13390971 0.78 ACKR3 (0.42) TBK1ACKR3
SCHEMBL8225144 0.77 IGF1R (0.40) TBK1
SCHEMBL13391316 0.77 ACKR3 (0.48) TBK1GSK3BACKR3

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-7846946-B2 Heteroatom-linked substituted piperidines and derivatives thereof useful as histamine H3 antagonists SCHERING PLOUGH CORPORATION (US) 2010-12-07 — — US disclosed
US-20090286830-A1 HETEROATOM-LINKED SUBSTITUTED PIPERIDINES AND DERIVATIVES THEREOF USEFUL AS HISTAMINE H3 ANTAGONISTS SCHERING CORPORATION 2009-11-19 — — 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-20090286830-A1 HETEROATOM-LINKED SUBSTITUTED PIPERIDINES AND DERIVATIVES THEREOF USEFUL AS HISTAMINE H3 ANTAGONISTS HRH3, HRH4, CHRM2 TBK1 4090/4885BCHE 137/4885GSK3B 4567/4885

“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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