SCHEMBL3272802

SCHEMBL3272802

COCCC1CCN(CCCCl)CC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.40
TMEM97 Q5BJF2 1/20 0.40
HRH3 Q9Y5N1 6/20 0.40
GNAO1 P09471 1/20 0.40
ACHE P22303 1/20 0.39
DRD2 P14416 2/20 0.37
DRD3 P35462 1/20 0.37
DRD4 P21917 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL23205040 0.83 KDM1A (0.40) HRH3GNAO1
SCHEMBL2115788 0.83 HRH3 (0.42) HRH3GNAO1ACHEDRD2DRD3
SCHEMBL2115787 0.83 HRH3 (0.40) HRH3GNAO1ACHEDRD2DRD3
SCHEMBL19865663 0.81 GNAO1 (0.60) HRH3GNAO1
SCHEMBL20231540 0.80 DRD2 (0.42) HRH3GNAO1DRD2
SCHEMBL29343351 0.79 CARM1 (0.44) SIGMAR1HRH3ACHE
SCHEMBL29323011 0.77 HRH3 (0.38) HRH3GNAO1DRD2DRD3
SCHEMBL3271082 0.77 ACHE (0.51) SIGMAR1TMEM97HRH3GNAO1ACHE
SCHEMBL254447 0.75 NCF1 (0.48) HRH3GNAO1ACHE
SCHEMBL25608933 0.75 KDM1A (0.41) SLC6A2SLC6A4

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 SIGMAR1 1644/4885TMEM97 2304/4885HRH3 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.