SCHEMBL1334244

SCHEMBL1334244

NC(=NCc1ccc(Cl)cc1)SCCCN1CCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 16/20 1.00
SIGMAR1 Q99720 3/20 0.60
TP53 P04637 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
HRH4 Q9H3N8 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
SCHEMBL1334242 0.73 HRH3 (0.58) HRH3SIGMAR1
SCHEMBL8123087 0.72 SIGMAR1 (0.71) HRH3SIGMAR1HRH4
Hydrochloric Acid SCHEMBL6340014 0.71 SIGMAR1 (0.69) HRH3SIGMAR1HRH4
SCHEMBL11866641 0.69 KDM4E (0.83) HRH3SIGMAR1CYP1A2CYP3A4CYP2D6
SCHEMBL12128786 0.69 HRH3 (0.53) HRH3SIGMAR1
SCHEMBL491930 0.69 HRH3 (0.53) HRH3SIGMAR1
SCHEMBL22561783 0.69 HRH3 (0.74) HRH3SIGMAR1
SCHEMBL7982901 0.68 HRH3 (0.73) HRH3SIGMAR1
Hydrochloric Acid SCHEMBL11865875 0.68 KDM4E (0.81) HRH3SIGMAR1CYP1A2CYP3A4CYP2D6
Clobenpropit SCHEMBL49050 0.68 HRH4 (1.00) HRH3TP53CYP1A2CYP3A4CYP2D6

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
EP-0982300-A2 Non-imidazole alkylamines as histamine H3 - receptor ligands and their therapeutic applications SOCIETE CIVILE BIOPROJET (FR) 2000-03-01 EP claimed
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-7910605-B2 Non-imidazole alkylamines as histamine H3- receptor ligands and their therapeutic applications SOCIETE CIVILE BIOPROJET (FR) 2011-03-22 US disclosed
EP-2000462-A2 Non-imidazole alkylamines as histamine H3-receptor ligands and their therapeutic applications BIOPROJET (FR) 2008-12-10 EP disclosed
US-7169928-B2 central nervous system disorders; Alzheimer's disease; attention deficit disorders; cognition activators; psychological disorders; antidepressants SOCIETE CIVILE BIOPROJECT (FR) 2007-01-30 US disclosed
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 disclosed
US-20060247223-A1 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 SCHWARTZ JEAN-CHARLES 2006-11-02 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-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

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-20060247223-A1 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 HRH3, HRH4, PNMT HRH3 1/4885SIGMAR1 64/4885TP53 4143/4885
US-20040220225-A1 central nervous system disorders; Alzheimer's disease; attention deficit disorders; cognition activators; psychological disorders; antidepressants HTR1A, HRH4, HTR1D HRH3 6/4885SIGMAR1 67/4885TP53 4167/4885
US-20110281844-A1 NON-IMIDAZOLE ALKYLAMINES AS HISTAMINE H3-RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS HRH3, HRH4, HRH2 HRH3 1/4885SIGMAR1 17/4885TP53 4610/4885

“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.