SCHEMBL3277514

SCHEMBL3277514

O=[N+]([O-])c1cnccc1NCC1(c2ccc(OCCCN3CCCC3)cc2)CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 14/20 0.48
LTA4H P09960 2/20 0.41
KCNH2 Q12809 2/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
MAPT P10636 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
SCHEMBL3271368 0.88 HRH3 (0.51) HRH3LTA4HKCNH2CYP1A2CYP2D6
SCHEMBL3277211 0.84 LTA4H (0.50) HRH3LTA4HKCNH2CYP1A2CYP2D6
SCHEMBL3277569 0.84 HRH3 (0.52) HRH3KCNH2CYP1A2
SCHEMBL3276768 0.81 HRH3 (0.54) HRH3LTA4HKCNH2
SCHEMBL3272881 0.81 HRH3 (0.54) HRH3LTA4HKCNH2CYP1A2
SCHEMBL5313460 0.80 CYP1A2 (0.48) HRH3LTA4HCYP1A2CYP2D6CYP2C19
SCHEMBL3272766 0.78 HRH3 (0.58) HRH3KCNH2CYP1A2
SCHEMBL3272045 0.78 HRH3 (0.55) HRH3KCNH2CYP1A2
SCHEMBL3271349 0.76 HRH3 (0.55) HRH3LTA4HKCNH2
SCHEMBL3271377 0.76 HRH3 (0.55) HRH3LTA4HKCNH2PTGS2

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 HRH3 2/4885LTA4H 44/4885KCNH2 3255/4885

“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.