SCHEMBL1335906

SCHEMBL1335906

O=C(C1(c2ccc(O)cc2)CC1)C1(c2ccc(O)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 4/20 0.48
ESR1 P03372 3/20 0.48
APP P05067 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP3A4 P08684 2/20 0.42
HSD11B1 P28845 5/20 0.39
AKR1C1 Q04828 1/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 2/20 0.39
PKM P14618 1/20 0.39
HTT P42858 1/20 0.39
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA12 O43570 2/20 0.38
CA3 P07451 2/20 0.38
TYR P14679 2/20 0.38
CA4 P22748 2/20 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
SCHEMBL1334283 0.91 ESR1 (0.56) ESR2ESR1APPCYP2C19CYP2D6
SCHEMBL1335824 0.91 ESR1 (0.50) ESR2ESR1APPCYP2C19CYP2D6
SCHEMBL27974576 0.89 ESR1 (0.57) ESR2ESR1HSD11B1AKR1C1LMNA
SCHEMBL350266 0.84 APP (0.58) ESR2ESR1APPCYP2C19CYP2D6
SCHEMBL518528 0.82 ESR2 (0.45) ESR2ESR1APPCYP2C19CYP2D6
SCHEMBL19264980 0.82 ESR2 (0.45) ESR2ESR1APPCYP2C19CYP2D6
SCHEMBL12120029 0.82 ESR2 (0.45) ESR2ESR1APPCYP2C19CYP2D6
SCHEMBL6618787 0.79 HDAC1 (0.44) HSD11B1AKR1C1MAPTCA1CA2
SCHEMBL2321735 0.79 HSD11B1 (0.59) HSD11B1LMNAHTTKDM4EALDH1A1
SCHEMBL3970990 0.79 HSD11B1 (0.49) APPCYP2C19CYP2C9CYP3A4HSD11B1

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 9 patents. 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 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-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 (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-20040220225-A1 central nervous system disorders; Alzheimer's disease; attention deficit disorders; cognition activators; psychological disorders; antidepressants HTR1A, HRH4, HTR1D ESR2 1694/4885ESR1 946/4885APP 118/4885
US-20110281844-A1 NON-IMIDAZOLE ALKYLAMINES AS HISTAMINE H3-RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS HRH3, HRH4, HRH2 ESR2 1122/4885ESR1 1329/4885APP 3564/4885

“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.