SCHEMBL5208026

SCHEMBL5208026

N#Cc1cc(F)c(N2CCC(OC3CCN(C4CCC4)CC3)CC2)cc1F

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.40
ALDH1A1 P00352 1/20 0.40
ALK Q9UM73 1/20 0.35
KCNH2 Q12809 1/20 0.35
PDCD1 Q15116 2/20 0.34
CD274 Q9NZQ7 2/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
GPR6 P46095 1/20 0.34
USP14 P54578 1/20 0.33
KDM4E B2RXH2 1/20 0.32
TRPV4 Q9HBA0 1/20 0.32
USP30 Q70CQ3 1/20 0.32
AOC3 Q16853 1/20 0.32
CHRM4 P08173 1/20 0.31

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
SCHEMBL5211950 0.82 IDO1 (0.44) HRH3CHRM4
SCHEMBL5213102 0.82 HRH3 (0.50) HRH3ALKKCNH2GPR6CHRM4
SCHEMBL5209559 0.76 TSHR (0.48) HRH3ALDH1A1USP30
SCHEMBL4689478 0.76 HRH3 (0.41) HRH3KCNH2IRAK4CHRM4
SCHEMBL14431500 0.75 ACACB (0.42) HRH3ALDH1A1
SCHEMBL5211400 0.71 L3MBTL1 (0.51) HRH3ALDH1A1
SCHEMBL5209493 0.70 HRH3 (0.60) HRH3KCNH2KDM4E
SCHEMBL3369618 0.70 HRH3 (0.44) HRH3KCNH2
Hydrochloric Acid SCHEMBL5214091 0.69 HRH3 (0.59) HRH3KCNH2KDM4E
SCHEMBL30073656 0.68 ALDH1A1 (0.75) ALDH1A1TRPV4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1646620-B1 SUBSTITUTED PIPERIDINES AS HISTAMINE H3 RECEPTOR LIGANDS GLAXO GROUP LTD (GB) 2007-08-15 EP claimed
EP-1646620-B1 SUBSTITUTED PIPERIDINES AS HISTAMINE H3 RECEPTOR LIGANDS GLAXO GROUP LTD (GB) 2007-08-15 EP disclosed
US-20060247227-A1 Substituted piperidines as histamine h3 receptor ligands BAILEY JAMES M 2006-11-02 US disclosed
EP-1646620-A1 SUBSTITUTED PIPERIDINES AS HISTAMINE H3 RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2006-04-19 EP disclosed
WO-2005014571-A1 SUBSTITUTED PIPERIDINES AS HISTAMINE H3 RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2005-02-17 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-20060247227-A1 Substituted piperidines as histamine h3 receptor ligands HRH3, HRH4, HRH1 HRH3 1/4885ALDH1A1 2611/4885ALK 1238/4885

“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.