SCHEMBL1335909

SCHEMBL1335909

O=CC1(c2ccc(O)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 7/20 0.46
ESR1 P03372 4/20 0.46
ALDH5A1 P51649 1/20 0.41
ABAT P80404 1/20 0.41
MAPT P10636 3/20 0.36
HPGD P15428 3/20 0.36
CYP3A4 P08684 3/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
RAB9A P51151 2/20 0.36
LMNA P02545 2/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
CA12 O43570 1/20 0.36
GMNN O75496 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA3 P07451 1/20 0.36
TYR P14679 1/20 0.36
ALOX15 P16050 1/20 0.36

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
SCHEMBL1334287 0.91 ESR2 (0.54) ESR2ESR1ALDH5A1ABATMAPT
SCHEMBL1335825 0.91 ESR2 (0.48) ESR2ESR1ALDH5A1ABATMAPT
SCHEMBL28988665 0.90 ESR2 (0.55) ESR2ESR1ALDH5A1ABATMAPT
SCHEMBL14575804 0.79 ESR2 (0.37) ESR2ESR1ALDH5A1ABAT
SCHEMBL8290260 0.77 CYP2A6 (0.41) HPGDALDH1A1KMT2ATDP1PKM
SCHEMBL4046273 0.77 CYP2A6 (0.36) RAB9AMEN1NPC1KMT2A
SCHEMBL9939958 0.77 PDE4A (0.31)
SCHEMBL695920 0.77 HSD17B10 (0.41) LMNAKMT2AHSD17B10
SCHEMBL12345138 0.77 POLB (0.43) ESR2ESR1MAPTHPGDCYP3A4
SCHEMBL568885 0.76 MEN1 (0.41) ALDH1A1MEN1KMT2ACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101171009-A Treatment of parkinson's disease obstructive sleep apnea, dementia with lewy bodies, vascular dementia with non-imidazole alkylamines histamine h3- receptor ligands BIOPROJET SOC CIV (FR) 2008-04-30 CN claimed
EP-2674428-B1 Modulators of ATP-binding cassette transporters VERTEX PHARMA (US) 2016-04-06 EP disclosed
CN-104159892-A Substituted phenyl azole derivatives DAIICHI SANKYO CO LTD 2014-11-19 CN disclosed
CN-101171009-B Use of non-imidazole alkylamines histamine h3- receptor ligands in treatment of parkinson's disease obstructive sleep apnea, dementia with lewy bodies, vascular dementia BIOPROJET SOC CIV 2012-11-07 CN disclosed
EP-2016065-B1 1-(BENZO[D][1,3]DIOXOL-5-YL)-N-(PHENYL)CYCLOPROPANE-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS FOR THE TREATMENT OF CYSTIC FIBROSIS VERTEX PHARMA (US) 2012-09-19 EP 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
EP-2000462-A2 Non-imidazole alkylamines as histamine H3-receptor ligands and their therapeutic applications BIOPROJET (FR) 2008-12-10 EP disclosed
CN-101171009-A Treatment of parkinson's disease obstructive sleep apnea, dementia with lewy bodies, vascular dementia with non-imidazole alkylamines histamine h3- receptor ligands BIOPROJET SOC CIV (FR) 2008-04-30 CN 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
WO-2005051904-A2 NOVEL PROCESSES FOR THE SYNTHESIS OF CYCLOPROPYL COMPOUNDS PHARMACIA CORPORATION (US) 2005-06-09 WO 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 946/4885ALDH5A1 4220/4885
US-20110281844-A1 NON-IMIDAZOLE ALKYLAMINES AS HISTAMINE H3-RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS HRH3, HRH4, HRH2 ESR2 1122/4885ESR1 1329/4885ALDH5A1 4551/4885

“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.