SCHEMBL3385872

SCHEMBL3385872

O=CCCCc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 15/20 0.47
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
ENPP2 Q13822 1/20 0.34
NMBR P28336 1/20 0.33

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
SCHEMBL4682017 0.96 SIRT2 (0.47) SIRT2CYP11B1CYP11B2ENPP2NMBR
SCHEMBL4695670 0.95 SIRT2 (0.46) SIRT2CYP11B1CYP11B2ENPP2NMBR
SCHEMBL1040511 0.92 SIRT2 (0.49) SIRT2CYP11B1CYP11B2ENPP2NMBR
SCHEMBL7972750 0.90 SIRT2 (0.48) SIRT2CYP11B1CYP11B2ENPP2NMBR
SCHEMBL5891927 0.82 SIRT2 (0.46) SIRT2CYP11B1CYP11B2ENPP2NMBR
SCHEMBL2490264 0.82 SIRT2 (0.48) SIRT2CYP11B1CYP11B2ENPP2NMBR
SCHEMBL2796109 0.81 SIRT2 (0.52) SIRT2CYP11B1CYP11B2
SCHEMBL2032778 0.81 SIRT2 (0.47) SIRT2CYP11B1CYP11B2ENPP2NMBR
SCHEMBL1309013 0.81 SIRT2 (0.47) SIRT2CYP11B1CYP11B2ENPP2
SCHEMBL8165853 0.81 SIRT2 (0.47) SIRT2CYP11B1CYP11B2ENPP2NMBR

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1748986-B1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2010-12-01 EP disclosed
EP-1318993-B1 SUBSTITUTED IMIDAZOLES AS DUAL HISTAMINE H1 AND H3 AGONISTS OR ANTAGONISTS SCHERING CORP (US) 2008-08-20 EP disclosed
EP-1318994-B1 SUBSTITUTED IMIDAZOLES AS DUAL HISTAMINE H1 AND H3 AGONISTS OR ANTAGONISTS SCHERING CORP (US) 2008-02-27 EP disclosed
EP-1748986-A2 HETEROCYCLIC COMPOUNDS AND THEIR USE AS ALDOSTERONE SYNTHASE INHIBITORS Speedel Experimenta AG (CH) 2007-02-07 EP disclosed
WO-2005118541-A2 HETEROCYCLIC COMPOUNDS AND THEIR USE AS ALDOSTERONE SYNTHASE INHIBITORS SPEEDEL EXPERIMENTA AG (CH) 2005-12-15 WO disclosed
EP-1318996-B1 SUBSTITUTED IMIDAZOLES AS DUAL HISTAMINE H1 AND H3 AGONISTS OR ANTAGONISTS SCHERING CORP (US) 2004-12-01 EP disclosed
US-6762186-B2 USE TO TREAT ALLERGY, NASAL CONGESTION, INFLAMMATORY AND CENTRAL NERVOUS SYSTEM-RELATED DISEASES SCHERING CORPORATION 2004-07-13 US disclosed
EP-1318993-A2 SUBSTITUTED IMIDAZOLES AS DUAL HISTAMINE H1 AND H3 AGONISTS OR ANTAGONISTS Schering Corporation (US) 2003-06-18 EP disclosed
EP-1318996-A2 SUBSTITUTED IMIDAZOLES AS DUAL HISTAMINE H1 AND H3 AGONISTS OR ANTAGONISTS Schering Corporation (US) 2003-06-18 EP disclosed
EP-1318994-A2 SUBSTITUTED IMIDAZOLES AS DUAL HISTAMINE H1 AND H3 AGONISTS OR ANTAGONISTS Schering Corporation (US) 2003-06-18 EP disclosed
US-6506756-B2 For treatment of allergies, inflammatory and central nervous system related diseases SCHERING CORPORATION 2003-01-14 US disclosed
US-20020086859-A1 Substituted imidazoles as dual histamine H1 and H3 agonists or antagonists SCHERING CORPORATION 2002-07-04 US disclosed
US-20020082272-A1 Substituted imidazoles as dual histamine H1 and H3 agonists or antagonists SCHERING CORPORATION 2002-06-27 US disclosed
US-20020082278-A1 Substituted imidazoles as dual histamine H1 and H3 agonists or antagonists SCHERING CORPORATION 2002-06-27 US disclosed
WO-2002044141-A2 SUBSTITUTED IMIDAZOLES AS DUAL HISTAMINE H1 AND H3 AGONISTS OR ANTAGONISTS SCHERING CORPORATION (US) 2002-06-06 WO disclosed
WO-2002024657-A2 SUBSTITUTED IMIDAZOLES AS DUAL HISTAMINE H1 AND H3 AGONISTS OR ANTAGONISTS SCHERING CORPORATION (US) 2002-03-28 WO disclosed
WO-2002024659-A2 SUBSTITUTED IMIDAZOLES AS DUAL HISTAMINE H1 AND H3 AGONISTS OR ANTGONISTS SCHERING CORPORATION (US) 2002-03-28 WO disclosed
US-6355665-B1 ANTIHISTAMINES, ANTIALLERGENS AND IRRITABLE BOWEL SYNDROME. JAMES BLACK FOUNDATION LIMITED (GB) 2002-03-12 US disclosed
US-6080871-A ANTIHISTAMINES JAMES BLACK FOUNDATION LIMITED (GB) 2000-06-27 US disclosed
WO-1999005114-A2 1H-4(5)-SUBSTITUTED IMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS HISTAMINE H3 RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 1999-02-04 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 (3 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-20020082278-A1 Substituted imidazoles as dual histamine H1 and H3 agonists or antagonists HRH3, HRH4, HRH2 SIRT2 826/4885CYP11B1 3429/4885CYP11B2 3038/4885
US-20020082272-A1 Substituted imidazoles as dual histamine H1 and H3 agonists or antagonists HRH3, HRH4, HRH2 SIRT2 1028/4885CYP11B1 3504/4885CYP11B2 3118/4885
US-20020086859-A1 Substituted imidazoles as dual histamine H1 and H3 agonists or antagonists HRH3, HRH4, HRH2 SIRT2 842/4885CYP11B1 4138/4885CYP11B2 3869/4885

“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.