SCHEMBL3276007

SCHEMBL3276007

CC(C)(C)[Si](C)(C)Oc1ccc(C2(CN)CCOCC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.42
PREP P48147 2/20 0.37
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
SLC6A3 Q01959 4/20 0.36
DPP4 P27487 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
PRKACA P17612 1/20 0.34
PRKACG P22612 1/20 0.34
PRKACB P22694 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL2489568 0.79 ALDH1A1 (0.53) SLC6A4ALDH1A1SMN1; SMN2MAOAMAOB
SCHEMBL3275926 0.75 KDM4E (0.52) ALDH1A1SMN1; SMN2L3MBTL1POLB
SCHEMBL31540172 0.75 ESR1 (0.41) PREPALDH1A1SMN1; SMN2POLB
SCHEMBL31540173 0.75 ESR1 (0.41) PREPALDH1A1SMN1; SMN2POLB
SCHEMBL3272607 0.75 PREP (0.37) PREPALDH1A1POLB
SCHEMBL28749546 0.74 POLB (0.44) PREPALDH1A1POLB
SCHEMBL3416399 0.74 LMNA (0.48) SLC6A4MAOAMAOBTAAR1SLC6A3
SCHEMBL8708156 0.72 PREP (0.39) SLC6A4PREPSLC6A3POLB
SCHEMBL27078110 0.72 ALDH1A1 (0.46) PREPALDH1A1SMN1; SMN2POLB
SCHEMBL31540189 0.71 PREP (0.40) PREPALDH1A1SMN1; SMN2L3MBTL1POLB

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 SLC6A4 2629/4885PREP 1470/4885ALDH1A1 832/4885

“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.