SCHEMBL604798

SCHEMBL604798

CCCNC1CCc2c(cccc2OC)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 13/20 1.00
DRD3 P35462 10/20 1.00
DRD4 P21917 5/20 1.00
MTNR1A P48039 1/20 0.61
MTNR1B P49286 1/20 0.61
CA1 P00915 2/20 0.58
CA2 P00918 2/20 0.58
ACHE P22303 2/20 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
SCHEMBL7454456 1.00 DRD2 (1.00) DRD2DRD3DRD4MTNR1AMTNR1B
SCHEMBL29802351 1.00 DRD2 (1.00) DRD2DRD3DRD4MTNR1AMTNR1B
SCHEMBL12072682 1.00 DRD2 (1.00) DRD2DRD3DRD4MTNR1AMTNR1B
SCHEMBL1938120 1.00 DRD2 (1.00) DRD2DRD3DRD4MTNR1AMTNR1B
Hydrochloric Acid SCHEMBL30485906 0.99 DRD2 (0.97) DRD2DRD3DRD4MTNR1AMTNR1B
Hydrochloric Acid SCHEMBL29067180 0.99 DRD2 (0.97) DRD2DRD3DRD4MTNR1AMTNR1B
Hydrochloric Acid SCHEMBL7445542 0.99 DRD2 (0.97) DRD2DRD3DRD4MTNR1AMTNR1B
Hydrochloric Acid SCHEMBL30335264 0.99 DRD2 (0.97) DRD2DRD3DRD4MTNR1AMTNR1B
Hydrochloric Acid SCHEMBL7450582 0.99 DRD2 (0.97) DRD2DRD3DRD4MTNR1AMTNR1B
SCHEMBL15375766 0.92 DRD2 (1.00) DRD2DRD3DRD4MTNR1AMTNR1B

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 157 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
EP-2585428-B1 PROCESSES FOR THE RESOLUTION OF NITROGEN SUBSTITUTED (S)-5-ALKOXY-2-AMINOTETRALIN DERIVATIVES UCB BIOPHARMA SPRL (BE) 2017-05-10 EP claimed
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 claimed
US-20120041225-A1 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF VAIDYA NITEEN A (US) 2012-02-16 US claimed
EP-1981831-A2 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF Vaidya, Niteen A. (US) 2008-10-22 EP claimed
WO-2007092264-A2 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF VAIDYA NITEEN A (US) 2007-08-16 WO claimed
US-20070185346-A1 Kit for automated resolving agent selection and method thereof VAIDYA NITEEN A 2007-08-09 US claimed
WO-1991001957-A1 RESOLUTION OF RACEMIC MIXTURES ETHYL CORPORATION (US) 1991-02-21 WO claimed
US-4968837-A Resolution of racemic mixtures ETHYL CORPORATION (US) 1990-11-06 US claimed
US-4814477-A SALT FORMATION, CRYSTALLIZATION, HYDROLYSIS OCE-NEDERLAND B.V. (NL) 1989-03-21 US claimed
US-20250304924-A1 ENGINEERED IMINE REDUCTASES AND METHODS FOR THE REDUCTIVE AMINATION OF KETONE AND AMINE COMPOUNDS CODEXIS INC (US) 2025-10-02 US disclosed
US-12312609-B2 Engineered imine reductases and methods for the reductive amination of ketone and amine compounds CODEXIS, INC. (US) 2025-05-27 US disclosed
CN-117263843-A Dopamine D 2 Receptor-like dual ligand compounds and uses thereof 常州大学 2023-12-22 CN disclosed
CN-113234057-B Preparation method of rotigotine 成都工业学院 2022-12-02 CN disclosed
US-4564628-A Substituted 2-aminotetralins NELSON RESEARCH & DEVELOPMENT CO. (US) 1986-01-14 US disclosed
US-4465692-A USING 2-(N-PHENYLETHYL-N-PROPYLAMINO)-5-HYDROXYTETRALIN NELSON RESEARCH & DEVELOPMENT COMPANY (US) 1984-08-14 US disclosed
US-4410519-A 2-AMINO-5-HYDROXY DERIVATIVES SANDOZ LTD. (CH) 1983-10-18 US disclosed
EP-0026848-B1 DERIVATIVES OF TETRALINE, THEIR PREPARATION AND MEDICAMENTS CONTAINING THESE COMPOUNDS SANDOZ AG (CH) 1983-05-04 EP disclosed
EP-0026848-A1 Derivatives of tetraline, their preparation and medicaments containing these compounds SANDOZ AG (CH) 1981-04-15 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-20120041225-A1 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF ACKR3, KIT, C3AR1 DRD2 1686/4885DRD3 1126/4885DRD4 276/4885

“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.