SCHEMBL3272209

SCHEMBL3272209

ClCCCCOc1ccc(C2(CNc3ccccn3)CCOCC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.53
LMNA P02545 2/20 0.47
HTT P42858 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
MAPT P10636 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ALDH1A1 P00352 4/20 0.46
L3MBTL1 Q9Y468 1/20 0.38
ITGB3 P05106 5/20 0.37
ITGAV P06756 5/20 0.37
ITGB1 P05556 4/20 0.37
P2RX7 Q99572 4/20 0.36
ITGB5 P18084 2/20 0.35
ITGB6 P18564 2/20 0.35

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
SCHEMBL3273298 0.86 HRH3 (0.52) KDM4ELMNAHTTCYP1A2CYP3A4
SCHEMBL3271377 0.85 HRH3 (0.55) KDM4EHRH3
SCHEMBL3271840 0.84 HRH3 (0.57) KDM4EHRH3
SCHEMBL3276940 0.82 KDM4E (0.46) KDM4ELMNAHTTCYP1A2CYP3A4
SCHEMBL3271441 0.82 HRH3 (0.50) KDM4ELMNACYP1A2ALDH1A1HRH3
SCHEMBL3271983 0.81 KDM4E (0.47) KDM4ELMNAHTTCYP1A2CYP3A4
SCHEMBL3275842 0.80 KDM4E (0.61) KDM4EMAPTALDH1A1L3MBTL1P2RX7
SCHEMBL3275926 0.80 KDM4E (0.52) KDM4ELMNAHTTCYP1A2CYP3A4
SCHEMBL3272041 0.76 KDM4E (0.46) KDM4ELMNAHTTCYP1A2CYP3A4
SCHEMBL3271908 0.76 KDM4E (0.47) KDM4ELMNAHTTCYP1A2CYP3A4

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 KDM4E 567/4885LMNA 4730/4885HTT 1140/4885

“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.