SCHEMBL491685

SCHEMBL491685

N=C(NCCCN1CCCCC1)NCC1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR3 P25089 1/20 0.49
FPR2 P25090 1/20 0.49
SIGMAR1 Q99720 3/20 0.49
RAD52 P43351 1/20 0.44
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HRH3 Q9Y5N1 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
EPHX1 P07099 2/20 0.41
GAA P10253 1/20 0.41
CHRM5 P08912 1/20 0.38
ADRA2C P18825 1/20 0.38

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 SCHEMBL6347355 0.98 FPR3 (0.48) FPR3FPR2SIGMAR1RAD52ALDH1A1
Hydrochloric Acid SCHEMBL6337203 0.94 SIGMAR1 (0.53) FPR3FPR2SIGMAR1RAD52ALDH1A1
Hydrochloric Acid SCHEMBL6348432 0.93 SIGMAR1 (0.55) FPR3FPR2SIGMAR1RAD52ALDH1A1
Hydrochloric Acid SCHEMBL6348810 0.93 SIGMAR1 (0.55) FPR3FPR2SIGMAR1RAD52ALDH1A1
Hydrochloric Acid SCHEMBL6340260 0.87 SIGMAR1 (0.48) FPR3FPR2SIGMAR1RAD52ALDH1A1
Hydrochloric Acid SCHEMBL6337391 0.87 RAD52 (0.49) FPR3FPR2SIGMAR1RAD52ALDH1A1
SCHEMBL17525451 0.83 HRH3 (0.46) ALDH1A1TP53TSHRSMN1; SMN2HRH3
SCHEMBL22856216 0.80 SIGMAR1 (0.49) FPR3FPR2SIGMAR1RAD52ALDH1A1
SCHEMBL7949267 0.80 SIGMAR1 (0.49) FPR3FPR2SIGMAR1RAD52ALDH1A1
SCHEMBL14592001 0.80 GAA (0.55) SIGMAR1RAD52ALDH1A1TP53CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
WO-2000006254-A2 NON-IMIDAZOLE ALKYLAMINES AS HISTAMINE H3-RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS SOCIETE CIVILE BIOPROJET (FR) 2000-02-10 WO 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-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
US-20110281844-A1 NON-IMIDAZOLE ALKYLAMINES AS HISTAMINE H3-RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS SCHWARTZ JEAN-CHARLES (FR) 2011-11-17 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
US-20060210624-A1 Combination product comprising an antagonist or inverse agonist of histamine receptor h<sb>3 </sb>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) 2006-09-21 US disclosed
US-20040220225-A1 central nervous system disorders; Alzheimer's disease; attention deficit disorders; cognition activators; psychological disorders; antidepressants SCHWARTZ JEAN-CHARLES (FR) 2004-11-04 US disclosed
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 disclosed
EP-1428820-A1 Non-imidazole alkylamines as histamine H-3-receptor ligands and their therapeutic applications BIOPROJET (FR) 2004-06-16 EP 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
WO-2000006254-A2 NON-IMIDAZOLE ALKYLAMINES AS HISTAMINE H3-RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS SOCIETE CIVILE BIOPROJET (FR) 2000-02-10 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 (4 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-20040220225-A1 central nervous system disorders; Alzheimer's disease; attention deficit disorders; cognition activators; psychological disorders; antidepressants HTR1A, HRH4, HTR1D FPR3 555/4885FPR2 825/4885SIGMAR1 67/4885
US-20060210624-A1 Combination product comprising an antagonist or inverse agonist of histamine receptor h<sb>3 </sb>and an antipsychotic and antidepressant agent, and use thereof for the preparation of a medicament that prevents the adverse effects of psychotropic drugs HRH3, HRH4, HRH2 FPR3 1531/4885FPR2 2469/4885SIGMAR1 88/4885
US-20090082353-A1 TREATMENT OF EPILEPSY WITH NON-IMIDAZOLE ALKYLAMINES HISTAMINE H3-RECEPTOR LIGANDS HRH3, HRH4, HRH2 FPR3 959/4885FPR2 921/4885SIGMAR1 167/4885
US-20110281844-A1 NON-IMIDAZOLE ALKYLAMINES AS HISTAMINE H3-RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS HRH3, HRH4, HRH2 FPR3 232/4885FPR2 214/4885SIGMAR1 17/4885

“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.