SCHEMBL1334249

SCHEMBL1334249

CCC(=O)c1ccc(OCCCBr)cc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.58
SMN1; SMN2 Q16637 3/20 0.55
NPC1 O15118 3/20 0.55
MAPT P10636 3/20 0.55
RAB9A P51151 3/20 0.55
HPGD P15428 1/20 0.55
GAA P10253 2/20 0.54
HRH2 P25021 1/20 0.52
HRH1 P35367 1/20 0.52
MMP1 P03956 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
THRA P10827 1/20 0.51
THRB P10828 1/20 0.51
HTT P42858 1/20 0.50
TP53 P04637 1/20 0.50
TSHR P16473 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50

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
SCHEMBL11877265 0.91 SMN1; SMN2 (0.56) L3MBTL1SMN1; SMN2NPC1MAPTRAB9A
SCHEMBL10040898 0.87 L3MBTL1 (0.69) L3MBTL1SMN1; SMN2NPC1MAPTRAB9A
SCHEMBL20278587 0.87 GAA (0.67) L3MBTL1SMN1; SMN2NPC1MAPTRAB9A
SCHEMBL17129733 0.87 L3MBTL1 (0.62) L3MBTL1SMN1; SMN2NPC1MAPTRAB9A
SCHEMBL9734410 0.84 L3MBTL1 (0.51) L3MBTL1NPC1MAPTGAAMMP1
SCHEMBL6640853 0.84 L3MBTL1 (0.60) L3MBTL1SMN1; SMN2NPC1MAPTRAB9A
SCHEMBL16202982 0.84 L3MBTL1 (0.60) L3MBTL1SMN1; SMN2NPC1MAPTRAB9A
SCHEMBL17002037 0.84 TP53 (0.70) L3MBTL1MMP1THRATHRBTP53
SCHEMBL8172219 0.84 L3MBTL1 (0.74) L3MBTL1SMN1; SMN2NPC1MAPTRAB9A
SCHEMBL8011974 0.84 MAPT (0.55) L3MBTL1SMN1; SMN2NPC1MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110087729-B Bifunctional compound with quaternary ammonium salt structure 北京硕佰医药科技有限责任公司 2022-04-05 CN disclosed
CN-110087729-A One kind has the dual-function compound of quaternary ammonium salt structure 北京硕佰医药科技有限责任公司 2019-08-02 CN 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-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-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 (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 L3MBTL1 825/4885SMN1; SMN2 1979/4885NPC1 1088/4885
US-20040220225-A1 central nervous system disorders; Alzheimer's disease; attention deficit disorders; cognition activators; psychological disorders; antidepressants HTR1A, HRH4, HTR1D L3MBTL1 1621/4885SMN1; SMN2 730/4885NPC1 548/4885
US-20110281844-A1 NON-IMIDAZOLE ALKYLAMINES AS HISTAMINE H3-RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS HRH3, HRH4, HRH2 L3MBTL1 1955/4885SMN1; SMN2 3925/4885NPC1 1753/4885

“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.