SCHEMBL3277469

SCHEMBL3277469

CN(C)CCCOc1ccc(C2(CN(C)C)CCOCC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HRH3 Q9Y5N1 4/20 0.47
LSS P48449 1/20 0.46
LMNA P02545 2/20 0.45
POLB P06746 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
SLC6A4 P31645 5/20 0.42
SLC6A3 Q01959 5/20 0.42
SLC6A2 P23975 3/20 0.41

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
SCHEMBL3270606 0.90 HRH3 (0.47) ALDH1A1KDM4ESMN1; SMN2HRH3LMNA
SCHEMBL3271437 0.89 LMNA (0.45) ALDH1A1SMN1; SMN2HRH3LMNACYP1A2
SCHEMBL4837392 0.89 ALDH1A1 (0.41) ALDH1A1KDM4ESMN1; SMN2HRH3LSS
SCHEMBL3271784 0.88 LMNA (0.48) ALDH1A1SMN1; SMN2HRH3LMNACYP1A2
SCHEMBL6268130 0.86 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2HRH3LMNACYP1A2
SCHEMBL3272359 0.85 ALDH1A1 (0.43) ALDH1A1KDM4ESMN1; SMN2HRH3LMNA
SCHEMBL3270444 0.84 HRH3 (0.60) ALDH1A1HRH3LMNACYP1A2
SCHEMBL3271881 0.83 HRH3 (0.47) ALDH1A1KDM4ESMN1; SMN2HRH3LMNA
SCHEMBL3271106 0.83 HRH3 (0.64) ALDH1A1HRH3LMNACYP1A2
SCHEMBL3277540 0.82 HRH3 (0.66) ALDH1A1HRH3LMNACYP1A2

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
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
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 ALDH1A1 832/4885KDM4E 567/4885SMN1; SMN2 4828/4885

“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.