SCHEMBL14091145

SCHEMBL14091145

CB(O)Nc1cc(CN2CCC(C(=O)N3CCC(CC(=O)c4ccc(Cl)cc4)CC3)CC2)ccn1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ACKR3 P25106 2/20 0.49
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41

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
SCHEMBL14091142 0.85 ACKR3 (0.44) ACKR3CYP3A4CYP2D6
SCHEMBL8230868 0.85 ACKR3 (0.46) ACKR3
SCHEMBL13391102 0.84 ACKR3 (0.51) ACKR3
SCHEMBL13591170 0.84 CYP3A4 (0.52) CYP3A4
SCHEMBL13003253 0.82 GSK3B (0.45) ACKR3
SCHEMBL13003276 0.80 ACKR3 (0.44) ACKR3CYP3A4CYP2D6
SCHEMBL8418718 0.79 ACKR3 (0.55) ACKR3CYP3A4CYP2D6
SCHEMBL13319053 0.78 ALDH1A1 (0.54) —
SCHEMBL13003272 0.78 MAPK1 (0.47) ACKR3
SCHEMBL13319465 0.77 ACKR3 (0.46) ACKR3

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-7408066-B2 Carbon-linked substituted piperidines and derivatives thereof useful as histamine H3 antagonists SCHERING CORPROATION (US) 2008-08-05 — — US disclosed
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 ACKR3 106/4885CYP3A4 907/4885CYP2D6 1160/4885

“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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