SCHEMBL3272001

SCHEMBL3272001

COc1cccc(C2(CN(C)C)CCOCC2)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ICMT O60725 1/20 0.53
SLC6A4 P31645 13/20 0.48
SLC6A2 P23975 10/20 0.48
SLC6A3 Q01959 9/20 0.48
OPRM1 P35372 4/20 0.45
SLC22A1 O15245 2/20 0.45
CHRM2 P08172 1/20 0.45
CHRM1 P11229 1/20 0.45
OPRD1 P41143 1/20 0.45
OPRK1 P41145 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
KDM1A O60341 1/20 0.44
OPRL1 P41146 1/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL3272474 0.83 ICMT (0.55) ICMTSLC6A4SLC6A3KMT2AKDM1A
SCHEMBL3271078 0.82 ALDH1A1 (0.51) SLC6A4SLC6A2SLC6A3OPRM1OPRL1
SCHEMBL12844011 0.82 ICMT (0.60) ICMTKMT2AKDM1AL3MBTL1
SCHEMBL12775721 0.82 ICMT (0.54) ICMTKMT2AKDM1AL3MBTL1
SCHEMBL3271844 0.80 SLC6A4 (0.50) SLC6A4SLC6A2SLC6A3OPRM1SLC22A1
SCHEMBL3270684 0.78 HRH3 (0.51) SLC6A4KMT2AL3MBTL1
SCHEMBL11637989 0.73 SLC6A2 (0.52) SLC6A4SLC6A2SLC6A3OPRM1SLC22A1
Bromide SCHEMBL11636924 0.72 SLC6A2 (0.51) SLC6A4SLC6A2SLC6A3OPRM1SLC22A1
SCHEMBL1625323 0.71 KMT2A (0.68) ICMTSLC6A4SLC6A2SLC6A3OPRM1
SCHEMBL11640708 0.71 SLC6A2 (0.50) SLC6A4SLC6A2SLC6A3OPRM1SLC22A1

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 ICMT 1896/4885SLC6A4 2629/4885SLC6A2 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.