SCHEMBL3273543

SCHEMBL3273543

C[C@H]1CC[C@H](C)N1CCCCl

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.40
HRH2 P25021 3/20 0.40
HRH1 P35367 3/20 0.40
MAOB P27338 1/20 0.35
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
ADRA2C P18825 1/20 0.32
CHRM3 P20309 1/20 0.32
DRD4 P21917 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
LTA4H P09960 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
SCHEMBL3271486 1.00 HRH3 (0.40) HRH3HRH2HRH1MAOBCHRM2
Hydrochloric Acid SCHEMBL2887217 0.98 HRH3 (0.39) HRH3HRH2HRH1MAOBCHRM2
SCHEMBL3275933 0.91 HRH3 (0.43) HRH3HRH2HRH1MAOBLTA4H
SCHEMBL10370873 0.91 HRH3 (0.43) HRH3HRH2HRH1MAOBLTA4H
Hydrochloric Acid SCHEMBL2884926 0.89 HRH3 (0.42) HRH3HRH2HRH1MAOBLTA4H
Hydrochloric Acid SCHEMBL11613952 0.89 HRH3 (0.42) HRH3HRH2HRH1MAOBLTA4H
SCHEMBL23828667 0.84 HRH3 (0.41) HRH3HRH2HRH1MAOB
SCHEMBL23828681 0.84 HRH3 (0.41) HRH3HRH2HRH1MAOB
Hydrochloric Acid SCHEMBL2968545 0.82 HRH2 (0.31) HRH3HRH2HRH1
Hydrochloric Acid SCHEMBL4444394 0.82 HRH2 (0.31) HRH3HRH2HRH1

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 HRH3 2/4885HRH2 8/4885HRH1 7/4885

“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.