SCHEMBL676574

SCHEMBL676574

COc1ccc2[nH]cc(CCO)c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 1.00
HTR2A P28223 5/20 0.73
HTR1A P08908 5/20 0.73
CYP1A2 P05177 3/20 0.73
HTR1D P28221 2/20 0.73
HTR1B P28222 2/20 0.73
HTR2C P28335 2/20 0.73
HTR7 P34969 2/20 0.73
HTR6 P50406 2/20 0.73
HTR4 Q13639 2/20 0.73
MAPT P10636 1/20 0.73
TSHR P16473 1/20 0.73
NFKB1 P19838 1/20 0.73
TRPM8 Q7Z2W7 1/20 0.73
GPR84 Q9NQS5 1/20 0.71
BLM P54132 2/20 0.71
PMP22 Q01453 2/20 0.71
NPSR1 Q6W5P4 1/20 0.71
MTNR1A P48039 4/20 0.69
HTR2B P41595 3/20 0.69

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
SCHEMBL29375720 1.00 CYP2D6 (1.00) CYP2D6HTR2AHTR1ACYP1A2HTR1D
SCHEMBL8306922 0.91 CYP2D6 (0.83) CYP2D6HTR2AHTR1ACYP1A2HTR1D
SCHEMBL9329211 0.90 CYP2D6 (0.81) CYP2D6HTR2AHTR1ACYP1A2HTR1D
SCHEMBL5362738 0.88 CYP2D6 (0.79) CYP2D6HTR2AHTR1ACYP1A2HTR1D
SCHEMBL5368511 0.88 CYP2D6 (0.79) CYP2D6HTR2AHTR1ACYP1A2HTR1D
SCHEMBL5363947 0.88 CYP2D6 (0.79) CYP2D6HTR2AHTR1ACYP1A2HTR1D
SCHEMBL5360884 0.88 CYP2D6 (0.79) CYP2D6HTR2AHTR1ACYP1A2HTR1D
SCHEMBL5350306 0.88 CYP2D6 (0.79) CYP2D6HTR2AHTR1ACYP1A2HTR1D
SCHEMBL29899096 0.88 CYP2D6 (0.78) CYP2D6HTR2AHTR1ACYP1A2HTR1D
SCHEMBL3812224 0.88 CYP2D6 (0.78) CYP2D6HTR2AHTR1ACYP1A2HTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220196684-A1 METHOD FOR DETECTING OR MONITORING THE DEVELOPMENT OF A CHRONIC DEGENERATIVE DISEASE BY IMMUNOASSAY PLL THERAPEUTICS (FR) 2022-06-23 US claimed
EP-3948300-A1 METHOD FOR DETECTING OR MONITORING THE DEVELOPMENT OF A CHRONIC DEGENERATIVE DISEASE BY IMMUNOASSAY PolyNeuroS (FR) 2022-02-09 EP claimed
WO-2020201332-A1 METHOD FOR DETECTING OR MONITORING THE DEVELOPMENT OF A CHRONIC DEGENERATIVE DISEASE BY IMMUNOASSAY POLYNEUROS (FR) 2020-10-08 WO claimed
CN-106501409-B A kind of urine metabolism marker identification method based on senile dementia 王喜军 2019-09-24 CN claimed
EP-2986330-B1 IMPLANTS FOR INDUCING SOFT AND HARD TISSUE INTEGRATION NUMAT BIOMEDICAL S L (ES) 2018-10-17 EP claimed
US-9849212-B2 Implants for inducing soft and hard tissue integration NUMAT BIOMEDICAL S.L. (ES) 2017-12-26 US claimed
US-20160082147-A1 IMPLANTS FOR INDUCING SOFT AND HARD TISSUE INTEGRATION NUMAT BIOMEDICAL S.L. (ES) 2016-03-24 US claimed
EP-2986330-A1 IMPLANTS FOR INDUCING SOFT AND HARD TISSUE INTEGRATION Numat Biomedical S.L. (ES) 2016-02-24 EP claimed
WO-2014169959-A1 IMPLANTS FOR INDUCING SOFT AND HARD TISSUE INTEGRATION NUMAT BIOMEDICAL S.L. (ES) 2014-10-23 WO claimed
US-8062648-B2 Formulations containing melatonin, ginkgo biloba, and biotin ASAT AG APPLIED SCIENCE & TECHNOLOGY (CH) 2011-11-22 US claimed
EP-0566566-A1 COMPOSITIONS AND METHODS FOR ALLEVIATING MENOPAUSAL SYMPTOMS. APPLIED MED RES LTD (US) 1993-10-27 EP claimed
WO-1992011855-A1 COMPOSITIONS AND METHODS FOR ALLEVIATING MENOPAUSAL SYMPTOMS APPLIED MEDICAL RESEARCH, LTD. (US) 1992-07-23 WO claimed
EP-0214254-B1 MELATONIN COMPOSITIONS AND USES THEREOF CELLENA (CELL ENGINEERING) A.G. (CH) 1992-06-17 EP claimed
EP-0472628-A1 USE OF MELATONIN DERIVATIVES FOR EFFECTING CONTRACEPTION APPLIED MEDICAL RESEARCH, LTD. (US) 1992-03-04 EP claimed
WO-1990014084-A1 USE OF MELATONIN DERIVATIVES FOR EFFECTING CONTRACEPTION COHEN MICHAEL (NL) 1990-11-29 WO claimed
US-4882137-A MELATONIN GENE LINK AUSTRALIA LIMITED (AU) 1989-11-21 US claimed
US-4746674-A Melatonin compositions and uses thereof CELLENA (CELL ENGINEERING) AG (CH) 1988-05-24 US claimed
EP-0246910-A2 Coated veterinary implants Hoechst Veterinär GmbH (DE) 1987-11-25 EP claimed
EP-0229131-A1 USE OF MELATONIN OR RELATED COMPOUNDS FOR THE TREATMENT OF PSORIASIS CELLENA (CELL ENGENEERING) A.G. (CH) 1987-07-22 EP claimed
WO-1987000432-A2 USE OF MELATONIN OR RELATED COMPOUNDS FOR THE TREATMENT OF PSORIASIS CELLENA (CELL ENGINEERING) A.G. (CH) 1987-01-29 WO claimed