SCHEMBL14628895

SCHEMBL14628895

CC(C)(C)OC(=O)Nc1cc(CN2CCC(C(=O)N3CCC(C(C#N)c4ccccn4)CC3)CC2)ccn1

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TBK1 Q9UHD2 13/20 0.40
▸ ACKR3 P25106 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
SCHEMBL14628740 0.89 KDM4E (0.39) TBK1ACKR3
SCHEMBL14628741 0.87 ALDH1A1 (0.37) TBK1ACKR3
SCHEMBL14091081 0.85 TBK1 (0.42) TBK1
SCHEMBL13390971 0.83 ACKR3 (0.42) TBK1ACKR3
SCHEMBL13591259 0.82 CYP3A4 (0.51) —
SCHEMBL12533226 0.80 ACKR3 (0.43) TBK1ACKR3
SCHEMBL12533228 0.80 ACKR3 (0.42) TBK1ACKR3
SCHEMBL13391076 0.79 ACKR3 (0.46) TBK1ACKR3
SCHEMBL14540623 0.77 CHRM4 (0.49) TBK1
SCHEMBL8225144 0.77 IGF1R (0.40) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070010513-A1 Carbon-linked substituted piperidines and derivatives thereof useful as histamine H3 antagonists SCHERING CORPORATION 2007-01-11 — — 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-20070010513-A1 Carbon-linked substituted piperidines and derivatives thereof useful as histamine H3 antagonists HRH3, HRH4, CHRM1 TBK1 4175/4885ACKR3 106/4885

“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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