SCHEMBL4779591

SCHEMBL4779591

C[C@@H]1CCCN1CCCOc1ccc(C2(O)CCN(C(=O)O)C(C(C)(C)C)C2)cc1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 18/20 0.51
MAOB P27338 1/20 0.47
CYP2D6 P10635 1/20 0.46

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
SCHEMBL2284757 0.82 MAOB (0.53) HRH3MAOB
SCHEMBL4779590 0.79 HRH3 (0.53) HRH3MAOBCYP2D6
SCHEMBL18689716 0.73 DRD2 (0.44)
SCHEMBL2087912 0.73 HRH3 (0.67) HRH3CYP2D6
SCHEMBL4844396 0.72 HRH3 (0.62) HRH3
SCHEMBL27926253 0.71 HRH3 (0.69) HRH3CYP2D6
SCHEMBL12272434 0.71 HRH3 (0.85) HRH3CYP2D6
SCHEMBL12272428 0.71 HRH3 (0.85) HRH3CYP2D6
SCHEMBL12017674 0.70 HRH3 (0.67) HRH3CYP2D6
SCHEMBL1372855 0.70 HRH3 (0.66) HRH3MAOB

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
EP-1610786-B9 4-(4-(HETEROCYCLYLALKOXY PHENYL)-1-(HETEROCYCLYL-CARBONYL)PIPERIDINE DERIVATIVES AND RELATED COMPOUNDS AS HISTAMINE H3 ANTAGONISTS FOR THE TREATMENT OF NEUROLOGICAL DISEASES SUCH AS ALZHEIMER'S GLAXO GROUP LTD (GB) 2008-02-27 EP disclosed
EP-1610786-B1 4-(4-(HETEROCYCLYLALKOXY PHENYL)-1-(HETEROCYCLYL-CARBONYL)PIPERIDINE DERIVATIVES AND RELATED COMPOUNDS AS HISTAMINE H3 ANTAGONISTS FOR THE TREATMENT OF NEUROLOGICAL DISEASES SUCH AS ALZHEIMER'S GLAXO GROUP LTD (GB) 2007-06-20 EP disclosed
US-20060205774-A1 4-(4-(Heterocyclylakoxy) phenyl-1-(heterocyclyl-carbonyl) piperidine derivavites and related compounds as histamine h3 antagonists for the treatment of neurological diseases such as alzheimer's GLAXO GROUP LIMITED (GB) 2006-09-14 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-20060205774-A1 4-(4-(Heterocyclylakoxy) phenyl-1-(heterocyclyl-carbonyl) piperidine derivavites and related compounds as histamine h3 antagonists for the treatment of neurological diseases such as alzheimer's HRH3, HRH4, HRH1 HRH3 1/4885MAOB 92/4885CYP2D6 1992/4885

“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.