SCHEMBL4130604

SCHEMBL4130604

NC(=NCCCN1CCCCC1)NCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.58
GRIN2D O15399 2/20 0.52
GRIN3B O60391 2/20 0.52
GRIN1 Q05586 2/20 0.52
GRIN2A Q12879 2/20 0.52
GRIN2B Q13224 2/20 0.52
GRIN2C Q14957 2/20 0.52
GRIN3A Q8TCU5 2/20 0.52
HRH3 Q9Y5N1 2/20 0.52
DPP7 Q9UHL4 1/20 0.48
KMT2A Q03164 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
Hydrochloric Acid SCHEMBL6339528 0.97 SIGMAR1 (0.58) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
Hydrochloric Acid SCHEMBL6341374 0.92 SIGMAR1 (0.60) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
Hydrochloric Acid SCHEMBL6341471 0.85 SIGMAR1 (0.76) SIGMAR1HRH3
Hydrochloric Acid SCHEMBL6340108 0.85 SIGMAR1 (0.59) SIGMAR1HRH3
Hydrochloric Acid SCHEMBL6347775 0.85 SIGMAR1 (0.59) SIGMAR1HRH3
Hydrochloric Acid SCHEMBL6341342 0.83 SIGMAR1 (0.52) SIGMAR1HRH3
Hydrochloric Acid SCHEMBL6346126 0.83 SIGMAR1 (0.66) SIGMAR1HRH3
SCHEMBL8105923 0.83 SIGMAR1 (0.57) SIGMAR1HRH3
SCHEMBL8108039 0.83 SIGMAR1 (0.57) SIGMAR1HRH3
Hydrochloric Acid SCHEMBL6338281 0.82 HRH3 (0.57) SIGMAR1HRH3

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090318433-A1 VERY FAST TIME RESOLVED IMAGING IN MULTIPARAMETER MEASUREMENT SPACE BIOPROJET (FR) 2009-12-24 US claimed
US-20090082353-A1 TREATMENT OF EPILEPSY WITH NON-IMIDAZOLE ALKYLAMINES HISTAMINE H3-RECEPTOR LIGANDS BIOPROJET (FR) 2009-03-26 US claimed
EP-1863486-A2 TREATMENT OF EPILEPSY WITH NON-IMIDAZOLE ALKYLAMINES HISTAMINE H3-RECEPTOR LIGANDS BIOPROJET (FR) 2007-12-12 EP claimed
US-7138413-B1 Administering tertiary amines, e.g., 3,3-Dimethylbutyl 3-piperidinopropyl ether, 3-Phenylpropyl 3-piperidinopropyl ether, or3-(4-Chlorophenyl)propyl 3-piperidinopropyl ether to treat cognitive disorders such as attention, wakefulness and memory disorders SOCIETE CIVILE BIOPROJET (FR) 2006-11-21 US claimed
WO-2006103537-A2 TREATMENT OF EPILEPSY WITH NON-IMIDAZOLE ALKYLAMINES HISTAMINE H3-RECEPTOR LIGANDS BIOPROJET (FR) 2006-10-05 WO 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-1707204-A1 Treatment of epilepsy 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-0982300-A2 Non-imidazole alkylamines as histamine H3 - receptor ligands and their therapeutic applications SOCIETE CIVILE BIOPROJET (FR) 2000-03-01 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-20090318433-A1 VERY FAST TIME RESOLVED IMAGING IN MULTIPARAMETER MEASUREMENT SPACE HRH3, HRH4, HCRTR2 SIGMAR1 23/4885GRIN2D 393/4885GRIN3B 153/4885
US-20090082353-A1 TREATMENT OF EPILEPSY WITH NON-IMIDAZOLE ALKYLAMINES HISTAMINE H3-RECEPTOR LIGANDS HRH3, HRH4, HRH2 SIGMAR1 167/4885GRIN2D 295/4885GRIN3B 138/4885

“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.