SCHEMBL2217080

SCHEMBL2217080

CCCN(CCC)C1COc2cccc(OC)c2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.66
DRD2 P14416 1/20 0.66
DRD1 P21728 1/20 0.66
HTR1B P28222 1/20 0.66
HTR2A P28223 1/20 0.66
HTR2C P28335 1/20 0.66

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 SCHEMBL9620015 0.99 HTR1A (0.65) HTR1ADRD2DRD1HTR1BHTR2A
SCHEMBL9082977 0.94 HTR1A (0.60) HTR1ADRD2DRD1HTR1BHTR2A
SCHEMBL9441673 0.92
SCHEMBL10613018 0.91
SCHEMBL9083448 0.91 HTR1A (0.63) HTR1ADRD2DRD1HTR1BHTR2A
SCHEMBL9083462 0.90 HTR1A (0.60) HTR1ADRD2DRD1HTR1BHTR2A
SCHEMBL8823806 0.90 HTR1A (0.57) HTR1ADRD2DRD1HTR1BHTR2A
SCHEMBL9084563 0.89
SCHEMBL9456624 0.88
Hydrochloric Acid SCHEMBL9619904 0.87

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9668995-B2 Treatment of motor fluctuations MOTAC NEUROSCIENCE LIMITED (GB) 2017-06-06 US claimed
US-20110178178-A1 Treatment of Motor Fluctuations MOTAC NEUROSCIENCE LIMITED (GB) 2011-07-21 US claimed
EP-1339398-B1 TREATMENT OF MOTOR FLUCTUATIONS WITH 5-HYDROXYTRYPTAMINE 1A RECEPTOR ACTIVITY ENHANCING COMPOUNDS MOTAC NEUROSCIENCE LTD (GB) 2008-09-03 EP claimed
US-20040067956-A1 Treatment of motor fluctuations MOTAC NEUROSCIENCE LIMITED (GB) 2004-04-08 US claimed
EP-1339398-A2 TREATMENT OF MOTOR FLUCTUATIONS WITH 5-HYDROXYTRYPTAMINE 1A RECEPTOR ACTIVITY ENHANCING COMPOUNDS Motac Neuroscience Limited (GB) 2003-09-03 EP claimed
US-20020173511-A1 Serotonergic compositions and methods for treatment of mild cognitive impairment WURTMAN RICHARD J (US) 2002-11-21 US claimed
WO-2002038142-A2 SEROTONERGIC COMPOSITIONS AND METHODS FOR TREATMENT OF MILD COGNITIVE IMPAIRMENT MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2002-05-16 WO claimed
WO-2002036107-A2 TREATMENT OF MOTOR FLUCTUATIONS WITH 5-HYDROXYTRYPTAMINE 1A RECEPTOR ACTIVITY ENHANCING COUMPOUNDS MOTAC NEUROSCIENCE LIMITED (GB) 2002-05-10 WO claimed
US-4992465-A Antidepressant, anxiolytic agents; treating central nervous system disorders CIBA-GEIGY CORPORATION (US) 1991-02-12 US claimed
US-9668995-B2 Treatment of motor fluctuations MOTAC NEUROSCIENCE LIMITED (GB) 2017-06-06 US disclosed
US-9034798-B2 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions CAPROTEC BIOANALYTICS GMBH (DE) 2015-05-19 US disclosed
US-8569481-B2 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions PHARMACEUTICALS, INC. (US) 2013-10-29 US disclosed
US-20110178178-A1 Treatment of Motor Fluctuations MOTAC NEUROSCIENCE LIMITED (GB) 2011-07-21 US disclosed
US-20110118136-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions KOESTER HUBERT 2011-05-19 US disclosed
US-4992465-A Antidepressant, anxiolytic agents; treating central nervous system disorders CIBA-GEIGY CORPORATION (US) 1991-02-12 US disclosed
WO-1990012795-A1 SUBSTITUTED 3-AMINO CHROMANS THE UPJOHN COMPANY (US) 1990-11-01 WO disclosed
US-4801605-A ANTIDEPRESSANT, NERVOUS SYSTEM DISORDERS, SEROTONIC ANTAGONIST CIBA-GEIGY CORPORATION (US) 1989-01-31 US disclosed
EP-0280269-A1 3-Amino-dihydro-[1]-benzopyrans and benzothiopyrans CIBA-GEIGY AG (CH) 1988-08-31 EP disclosed
EP-0279150-A1 5-Oxy-substituted-3-aminochroman compounds, processes for their preparation, pharmaceutical compositions containing them and methods of treatment therewith ASTRA LAKEMEDEL AKTIEBOLAG (SE) 1988-08-24 EP disclosed
WO-1988004654-A1 5-HYDROXY-3-AMINOCHROMAN COMPOUNDS, PROCESSES FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND METHODS OF TREATMENT THEREWITH Astra Läkemedel Aktiebolag (SE) 1988-06-30 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 (1 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-20110118136-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions PTMS, QPCTL, SRMS HTR1A 4611/4885DRD2 4030/4885DRD1 3982/4885

“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.