SCHEMBL14469239

SCHEMBL14469239

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

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.48
▸ KCNH2 Q12809 1/20 0.45
▸ HRH3 Q9Y5N1 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL14622872 0.92 CYP3A4 (0.48) CYP3A4
SCHEMBL13591134 0.91 CYP3A4 (0.51) CYP3A4KDM4EALDH1A1MAPTHTT
SCHEMBL13591102 0.89 CYP3A4 (0.49) CYP3A4KDM4EALDH1A1MAPTHTT
SCHEMBL13591179 0.89 CYP3A4 (0.51) CYP3A4KDM4EALDH1A1MAPTHTT
SCHEMBL13591101 0.87 CYP3A4 (0.47) CYP3A4KCNH2HRH3
SCHEMBL14091058 0.87 CYP3A4 (0.51) CYP3A4
SCHEMBL13591236 0.86 CYP3A4 (0.47) CYP3A4KCNH2HRH3
SCHEMBL14091054 0.86 CYP3A4 (0.46) CYP3A4KCNH2HRH3
SCHEMBL13591253 0.86 CYP3A4 (0.48) CYP3A4KDM4EALDH1A1MAPTHTT
SCHEMBL13591113 0.85 CYP3A4 (0.52) CYP3A4KDM4EALDH1A1MAPTHTT

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
WO-2007075555-A2 COMBINATION OF AN H3 ANTAGONIST/INVERSE AGONIST AND AN APPETITE SUPPRESSANT SCHERING CORPORATION (US) 2007-07-05 — — WO 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 CYP3A4 907/4885KCNH2 1376/4885HRH3 1/4885

“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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