SCHEMBL3276033

SCHEMBL3276033

c1cc(C2(CN3CCOCC3)CCOCC2)ccc1OCC1CNC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
HRH3 Q9Y5N1 6/20 0.38
GRM2 Q14416 1/20 0.37
F10 P00742 4/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPK1 P28482 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP1A2 P05177 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
HTR2A P28223 1/20 0.36
SCN1A P35498 1/20 0.36
HTR2B P41595 1/20 0.36
KCNH2 Q12809 1/20 0.36
SCN2A Q99250 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
SCN3A Q9NY46 1/20 0.36

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
SCHEMBL3273656 0.82 HRH3 (0.47) SLC6A2SLC6A4SLC6A3HRH3F10
SCHEMBL3273836 0.81 HRH3 (0.48) SLC6A2SLC6A4SLC6A3HRH3GRM2
SCHEMBL3270604 0.81 HRH3 (0.48) SLC6A2SLC6A4SLC6A3HRH3GRM2
SCHEMBL3274822 0.80 SLC6A4 (0.41) SLC6A2SLC6A4SLC6A3GRM2ALDH1A1
SCHEMBL3271026 0.79 OPRM1 (0.37) SLC6A2SLC6A4SLC6A3HRH3MEN1
SCHEMBL3270761 0.78 HRH3 (0.62) HRH3MAPK1ALDH1A1CYP1A2CHRM2
SCHEMBL3270150 0.77 SMN1; SMN2 (0.55) SLC6A2SLC6A4SLC6A3F10MEN1
SCHEMBL3276890 0.75 HRH3 (0.67) HRH3MAPK1ALDH1A1CYP1A2CHRM2
SCHEMBL3277327 0.75 HRH3 (0.63) HRH3MAPK1ALDH1A1CYP1A2CHRM2
SCHEMBL3272079 0.74 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3HRH3GRM2

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 5 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

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

“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.