SCHEMBL268506

SCHEMBL268506

COc1cccc2c1CCC(=O)C2

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.49
DRD3 P35462 4/20 0.49
DRD1 P21728 1/20 0.47
DRD5 P21918 1/20 0.47
CYP2A6 P11509 1/20 0.47
CHRM2 P08172 4/20 0.47
CHRM1 P11229 4/20 0.47
CHRM3 P20309 4/20 0.47
DRD4 P21917 2/20 0.46
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
ACHE P22303 1/20 0.44

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
SCHEMBL29396439 1.00 DRD2 (0.49) DRD2DRD3DRD1DRD5CYP2A6
SCHEMBL2061100 0.91 DRD2 (0.47) DRD2DRD3DRD1DRD5CHRM2
SCHEMBL2061271 0.87 DRD2 (0.50) DRD2DRD3DRD1DRD5CHRM2
SCHEMBL266381 0.86 DRD2 (0.55) DRD2DRD3DRD1DRD5CYP2A6
SCHEMBL2641069 0.85 DRD2 (0.50) DRD2DRD3DRD1DRD5CHRM2
SCHEMBL4602431 0.81 CYP2A6 (0.43) CYP2A6KDM4EALDH1A1GAA
SCHEMBL4601170 0.81 CYP2A6 (0.43) DRD2DRD3CYP2A6ALDH1A1ACHE
SCHEMBL2061606 0.81 DRD2 (0.54) DRD2DRD3DRD1DRD5CHRM2
SCHEMBL19133719 0.81 DRD2 (0.58) DRD2DRD3DRD1DRD5CHRM2
SCHEMBL4360295 0.80 CYP2A6 (0.42) DRD2DRD1CYP2A6KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119977826-A Rotigotine intermediate and preparation method and application thereof 烟台药物研究所 2025-05-13 CN claimed
CN-119753049-A Preparation method of rotigotine 滁州市庆云医药有限公司 2025-04-04 CN claimed
CN-118956991-B Synthesis method of chiral amine 天津凯莱英生物科技有限公司 2025-03-07 CN claimed
CN-118460498-B High-activity heat-resistant aminotransferase mutant and encoding gene, construction method and application thereof 中国科学院苏州生物医学工程技术研究所 2025-01-24 CN claimed
CN-119143720-A Rotigotine is got Process for the preparation of a statin 诚弘制药(威海)有限责任公司 2024-12-17 CN claimed
CN-118956991-A Synthesis method of chiral amine 天津凯莱英生物科技有限公司 2024-11-15 CN claimed
CN-118460498-A High-activity heat-resistant aminotransferase mutant and encoding gene, construction method and application thereof 中国科学院苏州生物医学工程技术研究所 2024-08-09 CN claimed
CN-114276258-B Novel chiral tetrahydronaphthylamine compound, and preparation method and application thereof 四川青木制药有限公司 2024-05-24 CN claimed
CN-117965476-A Reductive amination enzyme mutant and application thereof in rotigotine molecular synthesis 中国科学院天津工业生物技术研究所 2024-05-03 CN claimed
CN-116621775-A 2-amino-5-hydroxytetrahydronaphthalene derivative containing hydroxypyridone side chain, preparation and application thereof 浙江大学 2023-08-22 CN claimed
EP-2684953-A1 MODIFIED AMINOTRANSFERASE, GENE THEREOF, AND METHOD FOR PRODUCING OPTICALLY ACTIVE AMINO COMPOUND USING SAME Kaneka Corporation (JP) 2014-01-15 EP claimed
US-20140004575-A1 MODIFIED AMINOTRANSFERASE, GENE THEREOF, AND METHOD FOR PRODUCING OPTICALLY ACTIVE AMINO COMPOUND USING SAME KANEKA CORPORATION (JP) 2014-01-02 US claimed
US-20130210092-A1 Novel Transaminase, Gene Encoding the Same, and Method Using Them KANEKA CORPORATION (JP) 2013-08-15 US claimed
EP-2623593-A1 NOVEL AMINOTRANSFERASE AND GENE ENCODING SAME, AND USE OF THE AMINOTRANSFERASE AND THE GENE Kaneka Corporation (JP) 2013-08-07 EP claimed
EP-2623595-A1 NOVEL TRANSAMINASE SHOWING HIGH ACTIVITY FOR GLUTAMIC ACID, GENE ENCODING SAME, AND METHOD FOR UTILIZATION THEREOF Kaneka Corporation (JP) 2013-08-07 EP claimed
US-20130196389-A1 NOVEL TRANSAMINASE EXHIBITING HIGH ACTIVITY FOR GLUTAMIC ACID, GENE ENCODING SAME, AND METHOD FOR USING THEM KANEKA CORPORATION (JP) 2013-08-01 US claimed
EP-2531486-A2 NOVEL PROCESS FOR THE PREPARATION OF NITROGEN SUBSTITUTED AMINOTETRALINS DERIVATIVES UCB Pharma GmbH (DE) 2012-12-12 EP claimed
US-20120302790-A1 Novel Process for the Preparation of Nitrogen Substituted Aminotetralins Derivatives UCB PHARMA, S.A. (BE) 2012-11-29 US claimed
WO-2011095539-A2 NOVEL PROCESS FOR THE PREPARATION OF NITROGEN SUBSTITUTED AMINOTETRALINS DERIVATIVES UCB PHARMA GMBH (DE) 2011-08-11 WO claimed
EP-1889907-A1 NOVEL AMINO GROUP TRANSFERASE, GENE ENCODING THE SAME AND METHOD OF USING THE SAME Kaneka Corporation (JP) 2008-02-20 EP claimed

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-20120302790-A1 Novel Process for the Preparation of Nitrogen Substituted Aminotetralins Derivatives AADAT, AANAT, ASNS DRD2 572/4885DRD3 919/4885DRD1 541/4885

“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.