SCHEMBL3271441

SCHEMBL3271441

c1ccc(NCC2(c3ccc(OCCCN4CCCOCC4)cc3)CCOCC2)nc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.50
KDM4E B2RXH2 1/20 0.48
NFE2L2 Q16236 1/20 0.45
MAPK1 P28482 2/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45
CHRM2 P08172 1/20 0.45
CHRM1 P11229 1/20 0.45
HTR2A P28223 1/20 0.45
SCN1A P35498 1/20 0.45
HTR2B P41595 1/20 0.45
KCNH2 Q12809 1/20 0.45
SCN2A Q99250 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
SCN3A Q9NY46 1/20 0.45
USP2 O75604 1/20 0.44
LMNA P02545 1/20 0.44
FLT3 P36888 1/20 0.44
EPHX2 P34913 2/20 0.44
SLC6A4 P31645 1/20 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
SCHEMBL3271377 0.95 HRH3 (0.55) HRH3KDM4ENFE2L2KCNH2
SCHEMBL3271840 0.94 HRH3 (0.57) HRH3KDM4EKCNH2
SCHEMBL3273298 0.93 HRH3 (0.52) HRH3KDM4EALDH1A1CYP1A2KCNH2
SCHEMBL3276940 0.89 KDM4E (0.46) HRH3KDM4ENFE2L2MAPK1ALDH1A1
SCHEMBL3272766 0.84 HRH3 (0.58) HRH3MAPK1ALDH1A1CYP1A2CHRM2
SCHEMBL3272881 0.83 HRH3 (0.54) HRH3MAPK1ALDH1A1CYP1A2CHRM2
SCHEMBL3272209 0.82 KDM4E (0.53) HRH3KDM4EALDH1A1CYP1A2LMNA
SCHEMBL3272397 0.80 HRH3 (0.62) HRH3MAPK1ALDH1A1CYP1A2CHRM2
SCHEMBL3276768 0.79 HRH3 (0.54) HRH3KCNH2EPHX2
SCHEMBL3272848 0.79 HRH3 (0.61) HRH3MAPK1ALDH1A1CYP1A2CHRM2

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
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 2/4885KDM4E 567/4885NFE2L2 482/4885

“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.