SCHEMBL3271377

SCHEMBL3271377

c1ccc(NCC2(c3ccc(OCCCN4CCCC4)cc3)CCOCC2)nc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 16/20 0.55
KDM4E B2RXH2 1/20 0.51
KCNH2 Q12809 3/20 0.44
HRH2 P25021 1/20 0.44
HRH1 P35367 1/20 0.44
MET P08581 1/20 0.44
LTA4H P09960 1/20 0.43
PTGS2 P35354 1/20 0.43
NFE2L2 Q16236 1/20 0.43
HRH4 Q9H3N8 1/20 0.43

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
SCHEMBL3271840 0.99 HRH3 (0.57) HRH3KDM4EKCNH2HRH2HRH1
SCHEMBL3273298 0.97 HRH3 (0.52) HRH3KDM4EKCNH2LTA4HPTGS2
SCHEMBL3271441 0.95 HRH3 (0.50) HRH3KDM4EKCNH2NFE2L2
SCHEMBL3276940 0.92 KDM4E (0.46) HRH3KDM4EKCNH2HRH2HRH1
SCHEMBL3272766 0.89 HRH3 (0.58) HRH3KCNH2HRH2HRH1
SCHEMBL3272881 0.87 HRH3 (0.54) HRH3KCNH2LTA4HHRH4
SCHEMBL3272209 0.85 KDM4E (0.53) HRH3KDM4E
SCHEMBL3276768 0.83 HRH3 (0.54) HRH3KCNH2HRH2HRH1MET
SCHEMBL3271349 0.82 HRH3 (0.55) HRH3KCNH2HRH2HRH1LTA4H
SCHEMBL3272045 0.82 HRH3 (0.55) HRH3KCNH2HRH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050267095-A1 3- or 4-monosubstituted phenol and thiophenol derivatives useful as H3 ligands ZIARCO INC. 2005-12-01 US claimed
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
US-20050267095-A1 3- or 4-monosubstituted phenol and thiophenol derivatives useful as H3 ligands ZIARCO INC. 2005-12-01 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-20050267095-A1 3- or 4-monosubstituted phenol and thiophenol derivatives useful as H3 ligands HRH4, HRH3, TLR4 HRH3 2/4885KDM4E 567/4885KCNH2 3255/4885

“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.