SCHEMBL3270714

SCHEMBL3270714

CCOC(=O)N1CCN(CCCCl)CC1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.59
HTT P42858 2/20 0.59
POLB P06746 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
HRH2 P25021 16/20 0.58
HRH1 P35367 16/20 0.58
HRH3 Q9Y5N1 2/20 0.52
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
HPGD P15428 1/20 0.51
TSHR P16473 1/20 0.51
KMT2A Q03164 1/20 0.51

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
SCHEMBL11337882 0.89 ALDH1A1 (0.62) ALDH1A1HTTPOLBSMN1; SMN2HRH2
SCHEMBL9242962 0.89 ALDH1A1 (0.62) ALDH1A1HTTPOLBSMN1; SMN2HRH2
Hydrochloric Acid SCHEMBL10760926 0.88 ALDH1A1 (0.61) ALDH1A1HTTPOLBSMN1; SMN2HRH2
SCHEMBL14670199 0.86 HRH2 (0.56) ALDH1A1HTTPOLBSMN1; SMN2HRH2
SCHEMBL11392680 0.84 HRH2 (0.55) ALDH1A1HTTPOLBSMN1; SMN2HRH2
SCHEMBL27629332 0.84 HRH2 (0.59) ALDH1A1HTTPOLBSMN1; SMN2HRH2
SCHEMBL10854255 0.83 HRH2 (0.53) ALDH1A1HTTPOLBSMN1; SMN2HRH2
SCHEMBL5537946 0.83 HRH2 (0.53) ALDH1A1HTTPOLBSMN1; SMN2HRH2
SCHEMBL11747160 0.83 HRH2 (0.60) ALDH1A1HTTPOLBSMN1; SMN2HRH2
SCHEMBL9047895 0.83 HRH2 (0.60) ALDH1A1HTTPOLBSMN1; SMN2HRH2

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 ALDH1A1 832/4885HTT 1140/4885POLB 2640/4885

“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.