SCHEMBL491598

SCHEMBL491598

CCN(CC)CCCOc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.68
ATM Q13315 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
ALDH1A1 P00352 1/20 0.53
MAPT P10636 1/20 0.52
CRHBP P24387 1/20 0.52
CRHR2 Q13324 1/20 0.52
PTGS2 P35354 1/20 0.51
KDM4E B2RXH2 1/20 0.51
DRD2 P14416 1/20 0.51
DRD4 P21917 1/20 0.51
DRD3 P35462 1/20 0.51

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
Hydrochloric Acid SCHEMBL10425864 0.98 KCNH2 (0.67) KCNH2ATML3MBTL1ALDH1A1MAPT
SCHEMBL1735260 0.92 KCNH2 (0.79) KCNH2ATML3MBTL1ALDH1A1MAPT
SCHEMBL5282391 0.91 KCNH2 (0.58) KCNH2ATML3MBTL1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL10426105 0.89 KCNH2 (0.66) KCNH2ATML3MBTL1ALDH1A1MAPT
SCHEMBL10511052 0.87 KCNH2 (0.67) KCNH2L3MBTL1MAPT
SCHEMBL11063943 0.85 KCNH2 (0.65) KCNH2L3MBTL1ALDH1A1MAPTCRHBP
SCHEMBL1728679 0.84 KCNH2 (0.65) KCNH2ALDH1A1MAPTKDM4EDRD2
SCHEMBL2565246 0.83 MAPT (0.67) KCNH2L3MBTL1ALDH1A1MAPTCRHBP
SCHEMBL1284065 0.82 CHRNB2 (0.68) KCNH2ALDH1A1MAPTKDM4E
SCHEMBL9570575 0.81 DRD2 (0.65) KCNH2ALDH1A1MAPTCRHBPCRHR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110281844-A1 NON-IMIDAZOLE ALKYLAMINES AS HISTAMINE H3-RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS SCHWARTZ JEAN-CHARLES (FR) 2011-11-17 US claimed
EP-2000462-A2 Non-imidazole alkylamines as histamine H3-receptor ligands and their therapeutic applications BIOPROJET (FR) 2008-12-10 EP claimed
EP-1863486-A2 TREATMENT OF EPILEPSY WITH NON-IMIDAZOLE ALKYLAMINES HISTAMINE H3-RECEPTOR LIGANDS BIOPROJET (FR) 2007-12-12 EP claimed
WO-2006103537-A2 TREATMENT OF EPILEPSY WITH NON-IMIDAZOLE ALKYLAMINES HISTAMINE H3-RECEPTOR LIGANDS BIOPROJET (FR) 2006-10-05 WO claimed
EP-1707204-A1 Treatment of epilepsy with non-imidazole alkylamines histamine H3-receptor ligands BIOPROJET (FR) 2006-10-04 EP claimed
EP-1707203-A1 Treatment of parkinson's disease obstructive sleep apnea, dementia with lewy bodies, vascular dementia with non-imidazole alkylamines histamine H3- receptor ligands BIOPROJET (FR) 2006-10-04 EP claimed
EP-1100503-B1 NON-IMIDAZOLE ALKYLAMINES AS HISTAMINE H 3?-RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS ILE BIOPROJET SOC CIV (FR) 2004-09-22 EP claimed
EP-1100503-A2 NON-IMIDAZOLE ALKYLAMINES AS HISTAMINE H 3?-RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS SOCIETE CIVILE BIOPROJET (FR) 2001-05-23 EP claimed
EP-0982300-A2 Non-imidazole alkylamines as histamine H3 - receptor ligands and their therapeutic applications SOCIETE CIVILE BIOPROJET (FR) 2000-03-01 EP claimed
WO-2000006254-A2 NON-IMIDAZOLE ALKYLAMINES AS HISTAMINE H3-RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS SOCIETE CIVILE BIOPROJET (FR) 2000-02-10 WO claimed
EP-0978512-A1 Non-imidazole aryloxy (or arylthio) alkylamines as histamine H3-receptor antagonists and their therapeutic applications SOCIETE CIVILE BIOPROJET (FR) 2000-02-09 EP claimed
US-8486947-B2 Treatment of Parkinson's disease, obstructive sleep apnea, dementia with Lewy bodies, vascular dementia with non-imidazole alkylamines histamine H3-receptor ligands BIOPROJET (FR) 2013-07-16 US disclosed
US-20120088778-A1 AZOLE DERIVATIVES AND FUSED BICYCLIC AZOLE DERIVATIVES AS THERAPEUTIC AGENTS TRANSTECH PHARMA, INC. (US) 2012-04-12 US disclosed
US-8106041-B2 Combination product comprising an antagonist or inverse agonist of histamine receptor H3 and an antipsychotic and antidepressant agent, and use thereof for the preparation of a medicament that prevents the adverse effects of psychotropic drugs BIOPROJET (FR) 2012-01-31 US disclosed
US-20110281844-A1 NON-IMIDAZOLE ALKYLAMINES AS HISTAMINE H3-RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS SCHWARTZ JEAN-CHARLES (FR) 2011-11-17 US disclosed
WO-2003027102-A1 3-(ARYLAMINO)METHYLENE-1, 3-DIHYDRO-2H-INDOL-2-ONES AS KINASE INHIBITORS ALLERGAN, INC. (US) 2003-04-03 WO disclosed
EP-1100503-A2 NON-IMIDAZOLE ALKYLAMINES AS HISTAMINE H 3?-RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS SOCIETE CIVILE BIOPROJET (FR) 2001-05-23 EP disclosed
EP-0982300-A2 Non-imidazole alkylamines as histamine H3 - receptor ligands and their therapeutic applications SOCIETE CIVILE BIOPROJET (FR) 2000-03-01 EP disclosed
WO-2000006254-A2 NON-IMIDAZOLE ALKYLAMINES AS HISTAMINE H3-RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS SOCIETE CIVILE BIOPROJET (FR) 2000-02-10 WO disclosed
EP-0978512-A1 Non-imidazole aryloxy (or arylthio) alkylamines as histamine H3-receptor antagonists and their therapeutic applications SOCIETE CIVILE BIOPROJET (FR) 2000-02-09 EP 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 (2 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-20110281844-A1 NON-IMIDAZOLE ALKYLAMINES AS HISTAMINE H3-RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS HRH3, HRH4, HRH2 KCNH2 427/4885ATM 4088/4885L3MBTL1 1955/4885
US-20120088778-A1 AZOLE DERIVATIVES AND FUSED BICYCLIC AZOLE DERIVATIVES AS THERAPEUTIC AGENTS AGER, S100A4, S100B KCNH2 4248/4885ATM 2495/4885L3MBTL1 4861/4885

“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.