SCHEMBL338733

SCHEMBL338733

COc1cccc2c1CCC(NCc1ccccc1)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 1.00
DRD3 P35462 5/20 0.72
DRD4 P21917 3/20 0.72
GRIN2B Q13224 2/20 0.66
CA1 P00915 3/20 0.64
CA2 P00918 3/20 0.64
ACHE P22303 3/20 0.64
MTNR1A P48039 1/20 0.58
MTNR1B P49286 1/20 0.58

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
SCHEMBL15474018 1.00 DRD2 (1.00) DRD2DRD3DRD4GRIN2BCA1
SCHEMBL3320662 1.00 DRD2 (1.00) DRD2DRD3DRD4GRIN2BCA1
SCHEMBL29354627 1.00 DRD2 (1.00) DRD2DRD3DRD4GRIN2BCA1
SCHEMBL339286 1.00 DRD2 (1.00) DRD2DRD3DRD4GRIN2BCA1
SCHEMBL5143976 0.93 DRD2 (0.86) DRD2DRD3DRD4GRIN2BCA1
SCHEMBL8074250 0.91 DRD2 (0.83) DRD2DRD3DRD4GRIN2BMTNR1A
SCHEMBL7543711 0.91 DRD2 (0.83) DRD2DRD3DRD4GRIN2BMTNR1A
SCHEMBL8074280 0.91 DRD2 (0.83) DRD2DRD3DRD4GRIN2BMTNR1A
Hydrochloric Acid SCHEMBL7932989 0.90 DRD2 (0.81) DRD2DRD3DRD4GRIN2BMTNR1A
Hydrochloric Acid SCHEMBL8604442 0.90 DRD2 (0.81) DRD2DRD3DRD4GRIN2BMTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113969303-A Preparation method of rotigotine intermediate 上海天慈国际药业有限公司 2022-01-25 CN claimed
CN-113969303-A Preparation method of rotigotine intermediate 上海天慈国际药业有限公司 2022-01-25 CN disclosed
US-20170305877-A1 Processes for the Preparation of Rotigotine and Intermediates Thereof APOTEX INC. (CA) 2017-10-26 US disclosed
US-20160297745-A1 ENDODONTIC POST SYSTEM APOTEX INC (CA) 2016-10-13 US disclosed
WO-2016044918-A1 PROCESSES FOR THE PREPARATION OF ROTIGOTINE AND INTERMEDIATES THEREOF APOTEX INC. (CA) 2016-03-31 WO disclosed
US-9145353-B2 Method of preparing (S)-2-amino-5-methoxytetralin hydrochloride ANHUI KELONG INSTITUTE OF PHARMACEUTICAL (CN) 2015-09-29 US disclosed
US-20140046095-A1 Method of Preparing (S)-2-amino-5-Methoxytetralin Hydrochloride ANHUI KELONG INSTITUTE OF PHARMACEUTICAL (CN) 2014-02-13 US disclosed
US-8236845-B2 Heterocyclyl-substituted-tetrahydro-naphthalen-amine derivatives, their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-08-07 US disclosed
US-8236845-B2 Heterocyclyl-substituted-tetrahydro-naphthalen-amine derivatives, their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-08-07 US disclosed
US-8236845-B2 Heterocyclyl-substituted-tetrahydro-naphthalen-amine derivatives, their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-08-07 US disclosed
WO-2008116663-A2 HETEROCYCLYL-SUBSTITUTED-TETRAHYDRO-NAPHTHALEN-AMINE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2008-10-02 WO disclosed
EP-1975161-A1 Heterocyclyl-substituted- tetrahydro-napthalen-amine derivatives, their preparation and use as medicaments Laboratorios del Dr. Esteve S.A. (ES) 2008-10-01 EP disclosed
WO-2008095689-A1 HETEROCYCLYL SUBSTITUTED TETRAHYDRONAPHTHALENE DERIVATIVES AS 5-HT7 RECEPTOR LIGANDS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2008-08-14 WO disclosed
EP-1956006-A1 Heterocyclyl-substituted-tetrahydro-naphthalen derivatives as 5-HT7 receptor ligands Laboratorios del Dr. Esteve S.A. (ES) 2008-08-13 EP disclosed
EP-1278885-B1 RESOLUTION OF AMINOTETRALINS TORCAN CHEMICAL LTD (CA) 2004-06-16 EP disclosed
EP-1278885-A1 RESOLUTION OF AMINOTETRALINS TORCAN CHEMICAL Ltd (CA) 2003-01-29 EP disclosed
WO-2001083807-A1 RESOLUTION OF AMINOTETRALINS TORCAN CHEMICAL LTD. (CA) 2001-11-08 WO disclosed
US-6271005-B1 BY STEREOSPECIFIC ACYLATION BY THE ENZYME PSEUDOMONAS CEPACIA LIPASE OF ONE STEREOISOMER WHILE LEAVING THE OTHER UNCHANGED; 5-METHOXY-2-AMINOTETRALIN CHEMICAL INTERMEDIATES TO A 2-AMINOTETRALIN-ETHYLTHIOPHENE PARKINSON'S DRUG TORCAN CHEMICAL LIMITED (CA) 2001-08-07 US disclosed
WO-1991001957-A1 RESOLUTION OF RACEMIC MIXTURES ETHYL CORPORATION (US) 1991-02-21 WO disclosed
US-4968837-A Resolution of racemic mixtures ETHYL CORPORATION (US) 1990-11-06 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-20140046095-A1 Method of Preparing (S)-2-amino-5-Methoxytetralin Hydrochloride ADRB2, TPMT, TDO2 DRD2 44/4885DRD3 143/4885DRD4 96/4885
US-20170305877-A1 Processes for the Preparation of Rotigotine and Intermediates Thereof C1S, C1R, C3AR1 DRD2 119/4885DRD3 105/4885DRD4 126/4885
US-20160297745-A1 ENDODONTIC POST SYSTEM ABCB11, EXOC3, C1S DRD2 552/4885DRD3 125/4885DRD4 529/4885

“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.