SCHEMBL3272050

SCHEMBL3272050

N#CC1(c2ccc(OC3CCNCC3)cc2)CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.45
ALK Q9UM73 1/20 0.43
HRH3 Q9Y5N1 9/20 0.38
TBK1 Q9UHD2 1/20 0.38
IKBKB O14920 1/20 0.36
APP P05067 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
ROCK1 Q13464 2/20 0.34
ROCK2 O75116 1/20 0.34
PRKACA P17612 1/20 0.34
PRKCD Q05655 1/20 0.34
PRKG1 Q13976 1/20 0.34
PKN1 Q16512 1/20 0.34
PKN2 Q16513 1/20 0.34
AAK1 Q2M2I8 1/20 0.34
CDC42BPA Q5VT25 1/20 0.34
Q6ZSR9 Q6ZSR9 1/20 0.34

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
SCHEMBL30389266 0.81 ALK (0.35) HRH1ALKHRH3PDE4APDE4B
SCHEMBL23588028 0.80 PDE4A (0.42) HRH3PDE4APDE4BPDE4CPDE4D
SCHEMBL3272124 0.79 HRH3 (0.60) HRH3PDE4APDE4BPDE4CPDE4D
SCHEMBL3272977 0.79 HRH3 (0.63) HRH3
SCHEMBL3273564 0.79 HRH3 (0.58) HRH3
SCHEMBL3275752 0.79 HRH3 (0.55) HRH3
SCHEMBL3278761 0.78 HRH3 (0.48) HRH3APPPDE4APDE4BPDE4C
SCHEMBL3272384 0.77 HRH3 (0.60) HRH3PDE4APDE4BPDE4CPDE4D
SCHEMBL23578584 0.77 PDE4A (0.46) HRH3PDE4APDE4BPDE4CPDE4D
SCHEMBL1626522 0.74 ALDH1A1 (0.51)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1747210-B1 3- OR 4-MONOSUBSTITUTED PHENOL AND THIOPHENOL DERIVATIVES USEFUL AS H3 LIGANDS WARNER LAMBERT CO (US) 2010-06-30 EP disclosed
US-7456164-B2 Useful for treatment of H3-related diseases such as neurologic disorders, or inflammatory, respiratory and allergic diseases, disorders and conditions; for example, 4-[4-(1-isopropylpiperidin-4-yloxy)phenyl]tetrahydropyran-4-carbonitrile; well absorbed from gastrointestinal tract, metabolically stable PFIZER, INC (US) 2008-11-25 US disclosed
EP-1747210-A1 3- OR 4-MONOSUBSTITUTED PHENOL AND THIOPHENOL DERIVATIVES USEFUL AS H3 LIGANDS Warner-Lambert Company LLC (US) 2007-01-31 EP disclosed
US-20050267095-A1 3- or 4-monosubstituted phenol and thiophenol derivatives useful as H3 ligands ZIARCO INC. 2005-12-01 US disclosed
WO-2005108384-A1 3- OR 4-MONOSUBSTITUTED PHENOL AND THIOPHENOL DERIVATIVES USEFUL AS H3 LIGANDS WARNER-LAMBERT COMPANY LLC (US) 2005-11-17 WO disclosed
EP-1593679-A1 3- Or 4-monosubstituted phenol derivatives useful as H3 ligands Warner-Lambert Company LLC (US) 2005-11-09 EP 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-20050267095-A1 3- or 4-monosubstituted phenol and thiophenol derivatives useful as H3 ligands HRH4, HRH3, TLR4 HRH1 7/4885ALK 1113/4885HRH3 2/4885

“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.