SCHEMBL8418287

SCHEMBL8418287

C=C(C)OC(=O)Nc1cc(CN2CCC(C(=O)N3CCC(S(=O)(=O)c4ccccc4Br)CC3)CC2)ccn1

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TBK1 Q9UHD2 8/20 0.39
▸ CYP3A4 P08684 2/20 0.38
▸ CYP2D6 P10635 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
SCHEMBL8225144 0.90 IGF1R (0.40) TBK1CYP3A4CYP2D6
SCHEMBL13003906 0.81 CYP3A4 (0.54) CYP3A4
SCHEMBL13060188 0.78 GSK3B (0.48) TBK1
SCHEMBL13390971 0.71 ACKR3 (0.42) TBK1CYP3A4
SCHEMBL12533226 0.71 ACKR3 (0.43) TBK1CYP3A4
SCHEMBL8223229 0.71 TBK1 (0.51) TBK1
SCHEMBL12533228 0.71 ACKR3 (0.42) TBK1CYP3A4
SCHEMBL13060396 0.69 ACKR3 (0.45) TBK1
SCHEMBL8420505 0.69 CYP3A4 (0.55) CYP3A4
SCHEMBL8230768 0.69 POLB (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 3 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
US-20070142369-A1 Combination of an H3 antagonist/inverse agonist and an appetite suppressant SCHERING CORPORATION 2007-06-21 — — 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-20070142369-A1 Combination of an H3 antagonist/inverse agonist and an appetite suppressant CNR2, GPR119, GLP1R TBK1 2533/4885CYP3A4 1140/4885CYP2D6 1688/4885
US-20090286830-A1 HETEROATOM-LINKED SUBSTITUTED PIPERIDINES AND DERIVATIVES THEREOF USEFUL AS HISTAMINE H3 ANTAGONISTS HRH3, HRH4, CHRM2 TBK1 4090/4885CYP3A4 1177/4885CYP2D6 891/4885

“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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