SCHEMBL13591189

SCHEMBL13591189

Nc1cc(CN2CCC(C(=O)N3CCC(C(O)(c4ccccc4)c4ccccc4)CC3)CC2)ccn1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.58
▸ CYP3A4 P08684 3/20 0.57
▸ KCNH2 Q12809 1/20 0.50

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
SCHEMBL13591127 0.84 CYP3A4 (0.50) CYP3A4
SCHEMBL13591269 0.83 CYP3A4 (0.57) ALDH1A1CYP3A4
SCHEMBL14469248 0.82 CYP3A4 (0.61) CYP3A4
SCHEMBL8230524 0.82 CYP3A4 (0.61) CYP3A4
SCHEMBL13003570 0.82 CYP3A4 (0.55) CYP3A4
SCHEMBL13003326 0.82 CYP3A4 (0.55) CYP3A4
SCHEMBL13591128 0.81 CYP3A4 (0.49) CYP3A4
SCHEMBL8420505 0.81 CYP3A4 (0.55) CYP3A4
SCHEMBL8420530 0.81 CYP3A4 (0.49) CYP3A4
SCHEMBL13390974 0.80 CYP3A4 (0.56) CYP3A4

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1896453-B1 CARBON-LINKED SUBSTITUTED PIPERIDINES AND DERIVATIVES THEREOF USEFUL AS HISTAMINE H3 ANTAGONISTS SCHERING CORP (US) 2009-12-02 — — EP disclosed
US-7408066-B2 Carbon-linked substituted piperidines and derivatives thereof useful as histamine H3 antagonists SCHERING CORPROATION (US) 2008-08-05 — — US disclosed
US-7408066-B2 Carbon-linked substituted piperidines and derivatives thereof useful as histamine H3 antagonists SCHERING CORPROATION (US) 2008-08-05 — — US disclosed
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
US-20070010513-A1 Carbon-linked substituted piperidines and derivatives thereof useful as histamine H3 antagonists SCHERING CORPORATION 2007-01-11 — — US disclosed
WO-2007002057-A1 CARBON-LINKED SUBSTITUTED PIPERIDINES AND DERIVATIVES THEREOF USEFUL AS HISTAMINE H3 ANTAGONISTS SCHERING CORPORATION (US) 2007-01-04 — — WO 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 ALDH1A1 1129/4885CYP3A4 907/4885KCNH2 1376/4885

“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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