SCHEMBL3272525

SCHEMBL3272525

CC(=O)N1CCN(CC2(c3ccc(OCCCN4CCCC4)cc3)CCOCC2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.60
DRD3 P35462 1/20 0.51
KDM4E B2RXH2 1/20 0.48
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
EPHX2 P34913 1/20 0.47
HRH2 P25021 2/20 0.47
HRH1 P35367 2/20 0.47
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
CHRM2 P08172 1/20 0.46
CHRM1 P11229 1/20 0.46
HTR2A P28223 1/20 0.46
MAPK1 P28482 1/20 0.46
SCN1A P35498 1/20 0.46
HTR2B P41595 1/20 0.46
KCNH2 Q12809 1/20 0.46
SCN2A Q99250 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
SCN3A Q9NY46 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
SCHEMBL3270566 0.91 HRH3 (0.59) HRH3KDM4EPOLBMAPTHRH2
SCHEMBL3269982 0.91 HRH3 (0.59) HRH3DRD3KDM4EPOLBMAPT
SCHEMBL3270027 0.90 HRH3 (0.68) HRH3ALDH1A1CYP1A2CHRM2CHRM1
SCHEMBL3277162 0.90 HRH2 (0.58) HRH3HRH2HRH1
SCHEMBL3274976 0.89 HRH3 (0.70) HRH3ALDH1A1CYP1A2CHRM2CHRM1
SCHEMBL3271421 0.88 HRH3 (0.63) HRH3ALDH1A1CYP1A2CHRM2CHRM1
SCHEMBL3278892 0.88 HRH3 (0.72) HRH3ALDH1A1CYP1A2CHRM2CHRM1
SCHEMBL3277506 0.87 HRH3 (0.61) HRH3ALDH1A1CYP1A2CHRM2CHRM1
SCHEMBL3273357 0.87 HRH3 (0.61) HRH3ALDH1A1CYP1A2CHRM2CHRM1
SCHEMBL3276890 0.87 HRH3 (0.67) HRH3HRH2HRH1ALDH1A1CYP1A2

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 7 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
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-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-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 HRH3 2/4885DRD3 818/4885KDM4E 567/4885

“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.