SCHEMBL4670302

SCHEMBL4670302

O=C(c1ccc(C(=O)N2CCC(c3ccc(OCCCN4CCCCC4)cc3)CC2)cc1)N1CCCC1

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 18/20 0.72
KCNH2 Q12809 3/20 0.69
CYP3A4 P08684 2/20 0.69
CYP2C9 P11712 2/20 0.69
MAOB P27338 1/20 0.62
ALDH1A1 P00352 1/20 0.60
HPGD P15428 1/20 0.60
DRD2 P14416 1/20 0.59

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
SCHEMBL4670299 0.94 HRH3 (0.64) HRH3KCNH2CYP3A4CYP2C9MAOB
Hydrochloric Acid SCHEMBL5935439 0.92 HRH3 (0.65) HRH3KCNH2CYP3A4CYP2C9MAOB
SCHEMBL4670300 0.92 HRH3 (0.65) HRH3KCNH2CYP3A4CYP2C9MAOB
SCHEMBL4670297 0.92 HRH3 (0.62) HRH3KCNH2CYP3A4CYP2C9MAOB
SCHEMBL4672399 0.90 HRH3 (0.65) HRH3KCNH2CYP3A4CYP2C9MAOB
SCHEMBL4674376 0.90 HRH3 (0.73) HRH3KCNH2CYP3A4CYP2C9MAOB
SCHEMBL4670679 0.90 HRH3 (0.73) HRH3KCNH2CYP3A4CYP2C9MAOB
Hydrochloric Acid SCHEMBL5935356 0.88 HRH3 (0.87) HRH3KCNH2MAOBALDH1A1HPGD
SCHEMBL4670890 0.86 HRH2 (0.59) HRH3KCNH2CYP3A4CYP2C9MAOB
SCHEMBL4089542 0.86 HRH3 (0.97) HRH3KCNH2ALDH1A1HPGDDRD2

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 claimed
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 claimed
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 claimed

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 1/4885KCNH2 311/4885CYP3A4 894/4885

“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.