SCHEMBL3272691

SCHEMBL3272691

CS(=O)(=O)OC1CCN(C2CCCC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.40
CYP2D6 P10635 1/20 0.40
KDM4E B2RXH2 2/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
HRH1 P35367 1/20 0.35
SIGMAR1 Q99720 1/20 0.35

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
SCHEMBL986268 0.96 HRH3 (0.43) HRH3CYP2D6KDM4EGAAMAPK1
SCHEMBL20503412 0.92 KDM4E (0.39) HRH3CYP2D6KDM4EGAAALDH1A1
SCHEMBL17293273 0.84 HRH3 (0.35) HRH3CYP2D6KDM4EGAAALDH1A1
SCHEMBL17785641 0.81 HRH3 (0.33) HRH3CYP2D6
SCHEMBL11461060 0.81 CA1 (0.36) KDM4EGAAMAPK1ALDH1A1MEN1
SCHEMBL1928159 0.81 KDM4E (0.33) HRH3CYP2D6KDM4EALDH1A1CHRM2
SCHEMBL11470571 0.81 CA1 (0.36) KDM4EGAAMAPK1ALDH1A1MEN1
SCHEMBL276820 0.79 CA1 (0.54) HRH3KDM4EALDH1A1CA1CA2
SCHEMBL1316275 0.78 TP53 (0.48) HRH3CYP2D6KDM4EALDH1A1
SCHEMBL14779905 0.77 CA1 (0.58) HRH3CYP2D6KDM4EALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1950351-B 3- or 4-monosubstituted phenol and thiophenol derivatives useful as h3 ligands WARNER LAMBERT CO 2012-01-18 CN disclosed
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
CN-1950351-A 3- or 4-monosubstituted phenol and thiophenol derivatives useful as h3 ligands WARNER LAMBERT CO (US) 2007-04-18 CN 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 HRH3 2/4885CYP2D6 757/4885KDM4E 567/4885

“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.