SCHEMBL3270150

SCHEMBL3270150

COc1ccc(C2(CN3CCOCC3)CCOCC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.55
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
F10 P00742 4/20 0.50
ALDH1A1 P00352 2/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A4 P31645 1/20 0.49
SLC6A3 Q01959 1/20 0.49
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
CYP2D6 P10635 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL3270461 0.90 MEN1 (0.47) SMN1; SMN2MEN1KMT2AF10ALDH1A1
SCHEMBL3270761 0.81 HRH3 (0.62) ALDH1A1
SCHEMBL3273890 0.80 SLC6A2 (0.52) SMN1; SMN2MEN1KMT2AF10ALDH1A1
SCHEMBL31525724 0.80 ALDH1A1 (0.54) SMN1; SMN2MEN1KMT2AALDH1A1CYP3A4
SCHEMBL2489568 0.78 ALDH1A1 (0.53) SMN1; SMN2KMT2AALDH1A1SLC6A4CYP3A4
SCHEMBL12386 0.78 SLC6A2 (0.54) SMN1; SMN2MEN1KMT2AF10ALDH1A1
SCHEMBL3277327 0.78 HRH3 (0.63) ALDH1A1
SCHEMBL3276890 0.78 HRH3 (0.67) ALDH1A1
SCHEMBL3272397 0.77 HRH3 (0.62) ALDH1A1
SCHEMBL3276033 0.77 SLC6A2 (0.42) MEN1KMT2AF10ALDH1A1SLC6A2

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 SMN1; SMN2 4828/4885MEN1 4779/4885KMT2A 413/4885

“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.