SCHEMBL3271844

SCHEMBL3271844

CN(C)CC1(c2cccc(O)c2)CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 18/20 0.50
SLC6A3 Q01959 16/20 0.50
SLC6A2 P23975 10/20 0.50
OPRM1 P35372 3/20 0.44
OPRL1 P41146 1/20 0.44
MEN1 O00255 1/20 0.44
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
KMT2A Q03164 1/20 0.44
SLC22A1 O15245 1/20 0.42
CHRM2 P08172 1/20 0.42
ACHE P22303 1/20 0.42
CYP2D6 P10635 1/20 0.42

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
SCHEMBL7532983 0.83 ACHE (0.55) SLC6A4OPRM1OPRD1SLC22A1CHRM2
SCHEMBL3270818 0.81 SLC6A4 (0.49) SLC6A4SLC6A3SLC6A2OPRM1OPRL1
SCHEMBL9136443 0.81 ALOX5 (0.45) SLC6A4OPRM1OPRD1SLC22A1CHRM2
SCHEMBL3272001 0.80 ICMT (0.53) SLC6A4SLC6A3SLC6A2OPRM1OPRL1
SCHEMBL9138011 0.74 OPRD1 (0.63) OPRM1OPRD1OPRK1
SCHEMBL14002773 0.73 SLC6A4 (0.50) SLC6A4SLC6A3SLC6A2OPRM1OPRL1
SCHEMBL9219871 0.73 OPRD1 (0.44) SLC6A4SLC6A2OPRM1MEN1OPRD1
SCHEMBL9250652 0.72 OPRM1 (0.44) SLC6A4SLC6A2OPRM1OPRL1OPRD1
SCHEMBL9137028 0.71 ALOX5 (0.44) OPRM1OPRD1OPRK1
SCHEMBL1599480 0.71 ALOX5 (0.54) OPRD1

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 SLC6A4 2629/4885SLC6A3 2491/4885SLC6A2 3564/4885

“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.