SCHEMBL339286

SCHEMBL339286

COc1cccc2c1CC[C@H](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
SCHEMBL338733 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 27 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
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-8604242-B2 Process for the preparation of optically active (S)-(−)-2-(N-propylamino)-5-methoxytetraline and (S)-(−)-2-(N-propylamino)-5-hydroxytetraline compounds INTERQUIM, S.A. (ES) 2013-12-10 US disclosed
EP-2346811-B1 PROCESS FOR THE PREPARATION OF OPTICALLY ACTIVE (S)-(-)-2-(N-PROPYLAMINO)-5-METHOXYTETRALINE AND (S)-(-)-2-(N-PROPYLAMINO)-5-HYDROXYTETRALINE COMPOUNDS INTERQUIM SA (ES) 2012-08-15 EP 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-8097641-B2 Heterocyclyl substituted tetrahydronaphthalene derivatives as 5-HT7 receptor ligands LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-01-17 US disclosed
US-8097641-B2 Heterocyclyl substituted tetrahydronaphthalene derivatives as 5-HT7 receptor ligands LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-01-17 US disclosed
US-8097641-B2 Heterocyclyl substituted tetrahydronaphthalene derivatives as 5-HT7 receptor ligands LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-01-17 US disclosed
WO-2010043571-A1 PROCESS FOR THE PREPARATION OF OPTICALLY ACTIVE (S)-(-)-2-(N-PROPYLAMINO)-5-METHOXYTETRALINE AND (S)-(-)-2-(N-PROPYLAMINO)-5-HYDROXYTETRALINE COMPOUNDS INTERQUIM, S.A. (ES) 2010-04-22 WO 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
US-20100035936-A1 HETEROCYCLYL SUBSTITUTED TETRAHYDRONAPHTHALENE DERIVATIVES AS 5-HT7 RECEPTOR LIGANDS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-02-11 US 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
WO-2008145335-A1 COMBINATION OF A 5HT7 RECEPTOR LIGAND AND AN OPIOID RECEPTOR LIGAND LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2008-12-04 WO disclosed
EP-1997493-A1 Combination of a 5-HT7 receptor ligand and an opioid receptor ligand Laboratorios del Dr. Esteve S.A. (ES) 2008-12-03 EP disclosed
EP-1997493-A1 Combination of a 5-HT7 receptor ligand and an opioid receptor ligand Laboratorios del Dr. Esteve S.A. (ES) 2008-12-03 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-1956006-A1 Heterocyclyl-substituted-tetrahydro-naphthalen derivatives as 5-HT7 receptor ligands Laboratorios del Dr. Esteve S.A. (ES) 2008-08-13 EP 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-20100035936-A1 HETEROCYCLYL SUBSTITUTED TETRAHYDRONAPHTHALENE DERIVATIVES AS 5-HT7 RECEPTOR LIGANDS HTR7, HTR2C, HTR6 DRD2 264/4885DRD3 370/4885DRD4 335/4885

“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.