SCHEMBL3276428

SCHEMBL3276428

CC(C)N1CC(COc2ccc(C3(C(=O)N4CCOCC4)CCOCC3)cc2)C1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.54
CYP2C19 P33261 1/20 0.54
HRH3 Q9Y5N1 2/20 0.49
ALDH1A1 P00352 4/20 0.46
EP300 Q09472 3/20 0.45
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TSHR P16473 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HPGD P15428 1/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
FKBP1A P62942 3/20 0.42
ACACB O00763 1/20 0.41
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL3272661 0.79 HRH3 (0.77) CYP3A4CYP2C19HRH3ALDH1A1LMNA
SCHEMBL3271995 0.78 HRH3 (0.40) CYP3A4CYP2C19HRH3ALDH1A1LMNA
SCHEMBL13309623 0.78 HRH3 (0.42) HRH3TSHRKMT2AMEN1ACACB
SCHEMBL3273656 0.78 HRH3 (0.47) HRH3ALDH1A1LMNATSHRKMT2A
SCHEMBL3276425 0.77 CYP3A4 (0.43) CYP3A4CYP2C19HRH3ALDH1A1EP300
SCHEMBL3273388 0.76 HRH3 (0.40) HRH3ALDH1A1LMNAACACB
SCHEMBL3270441 0.76 CYP3A4 (0.87) CYP3A4CYP2C19ALDH1A1EP300LMNA
SCHEMBL3277449 0.75 POLB (0.44) CYP3A4HRH3NPSR1ACACBPOLB
SCHEMBL3272902 0.74 HRH3 (0.76) CYP3A4CYP2C19HRH3ALDH1A1LMNA
SCHEMBL13309689 0.74 HRH3 (0.76) CYP3A4CYP2C19HRH3ALDH1A1LMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050267095-A1 3- or 4-monosubstituted phenol and thiophenol derivatives useful as H3 ligands ZIARCO INC. 2005-12-01 US claimed
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
US-20050267095-A1 3- or 4-monosubstituted phenol and thiophenol derivatives useful as H3 ligands ZIARCO INC. 2005-12-01 US 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 CYP3A4 104/4885CYP2C19 854/4885HRH3 2/4885

“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.