SCHEMBL895845

SCHEMBL895845

COc1cccc2c1CC[C@H](N)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 11/20 1.00
DRD3 P35462 9/20 1.00
ADRA1A P35348 1/20 0.65
DRD4 P21917 6/20 0.63
CHRM2 P08172 1/20 0.61
CHRM1 P11229 1/20 0.61
CHRM3 P20309 1/20 0.61
MTNR1A P48039 1/20 0.56
MTNR1B P49286 1/20 0.56
PLAU P00749 1/20 0.55

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
SCHEMBL29547385 1.00 DRD2 (1.00) DRD2DRD3ADRA1ADRD4CHRM2
SCHEMBL29429678 1.00 DRD2 (1.00) DRD2DRD3ADRA1ADRD4CHRM2
SCHEMBL43366 1.00 DRD2 (1.00) DRD2DRD3ADRA1ADRD4CHRM2
SCHEMBL895742 1.00 DRD2 (1.00) DRD2DRD3ADRA1ADRD4CHRM2
Hydrochloric Acid SCHEMBL6824058 0.98 DRD2 (0.97) DRD2DRD3ADRA1ADRD4CHRM2
Hydrochloric Acid SCHEMBL31672141 0.98 DRD2 (0.97) DRD2DRD3ADRA1ADRD4CHRM2
Hydrochloric Acid SCHEMBL6824054 0.98 DRD2 (0.97) DRD2DRD3ADRA1ADRD4CHRM2
Hydrochloric Acid SCHEMBL3468007 0.98 DRD2 (0.97) DRD2DRD3ADRA1ADRD4CHRM2
SCHEMBL9315535 0.90 DRD2 (0.82) DRD2DRD3ADRA1ADRD4CHRM2
SCHEMBL4210081 0.88 DRD2 (0.79) DRD2DRD3ADRA1ACHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113234057-B Preparation method of rotigotine 成都工业学院 2022-12-02 CN claimed
CN-113234057-A Preparation method of rotigotine 成都工业学院 2021-08-10 CN claimed
US-20110313176-A1 PROCESSES FOR PREPARING HIGHLY PURE ROTIGOTINE OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ACTAVIS GROUP PTC EHF (IS) 2011-12-22 US claimed
WO-2010073124-A2 PROCESSES FOR PREPARING HIGHLY PURE ROTIGOTINE OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ACTAVIS GROUP PTC EHF (IS) 2010-07-01 WO claimed
US-20230348358-A1 Serotonin Receptor Modulators UNITED STATES GOVERNMENT 2023-11-02 US disclosed
US-20230348358-A1 Serotonin Receptor Modulators UNITED STATES GOVERNMENT 2023-11-02 US disclosed
US-20230348358-A1 Serotonin Receptor Modulators UNITED STATES GOVERNMENT 2023-11-02 US disclosed
CN-116621775-A 2-amino-5-hydroxytetrahydronaphthalene derivative containing hydroxypyridone side chain, preparation and application thereof 浙江大学 2023-08-22 CN disclosed
CN-116438169-A Serotonin receptor modulators 东北大学 2023-07-14 CN disclosed
CN-113234057-B Preparation method of rotigotine 成都工业学院 2022-12-02 CN disclosed
CN-114249663-A Method for preparing (S) -2-amino-5-methoxy naphthalene mandelate by continuous flow reactor 安徽皓元药业有限公司 2022-03-29 CN disclosed
CN-113234057-A Preparation method of rotigotine 成都工业学院 2021-08-10 CN disclosed
US-20100035936-A1 HETEROCYCLYL SUBSTITUTED TETRAHYDRONAPHTHALENE DERIVATIVES AS 5-HT7 RECEPTOR LIGANDS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-02-11 US disclosed
JP-2002187875-A METHOD FOR PRODUCING OPTICALLY ACTIVE 2-AMINO-5- METHOXYTETRALIN NAGASE & CO LTD 2002-07-05 JP disclosed
EP-0717620-B1 SUBSTITUTED 2-AMINOTETRALINS DISCOVERY THERAPEUTICS INC (US) 2001-10-31 EP disclosed
EP-0717620-A4 SUBSTITUTED 2-AMINOTETRALINS DISCOVERY THERAPEUTICS INC (US) 1997-05-28 EP disclosed
EP-0717620-A1 SUBSTITUTED 2-AMINOTETRALINS Discovery Therapeutics, Inc. (US) 1996-06-26 EP disclosed
WO-1995004532-A1 SUBSTITUTED 2-AMINOTETRALINS DISCOVERY THERAPEUTICS INC. (US) 1995-02-16 WO disclosed
US-5382596-A Useful for alleviating Parkinsonism, glaucoma, hyperprolactinemia and for inducing weight loss in mammals WHITBY RESEARCH, INC. (US) 1995-01-17 US disclosed
US-5300437-A Using omega-amino acid transaminase CELGENE CORPORATION (US) 1994-04-05 US 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-20100035936-A1 HETEROCYCLYL SUBSTITUTED TETRAHYDRONAPHTHALENE DERIVATIVES AS 5-HT7 RECEPTOR LIGANDS HTR7, HTR2C, HTR6 DRD2 264/4885DRD3 370/4885ADRA1A 133/4885
US-20230348358-A1 Serotonin Receptor Modulators HTR7, HTR1A, HTR5A DRD2 298/4885DRD3 834/4885ADRA1A 351/4885
US-20110313176-A1 PROCESSES FOR PREPARING HIGHLY PURE ROTIGOTINE OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF MC4R, AVPR2, MC5R DRD2 100/4885DRD3 216/4885ADRA1A 169/4885

“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.