SCHEMBL268141

SCHEMBL268141

COc1ccc2c(c1)C[C@@H](N)CC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 1.00
DRD3 P35462 7/20 1.00
ACHE P22303 4/20 0.61
DRD4 P21917 2/20 0.55
MTNR1A P48039 1/20 0.55
MTNR1B P49286 1/20 0.55
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
CYP19A1 P11511 1/20 0.52
PLAU P00749 1/20 0.52
HTR1D P28221 1/20 0.50
HTR1B P28222 1/20 0.50

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
SCHEMBL267102 1.00 DRD2 (1.00) DRD2DRD3ACHEDRD4MTNR1A
SCHEMBL354006 1.00 DRD2 (1.00) DRD2DRD3ACHEDRD4MTNR1A
Hydrochloric Acid SCHEMBL6400112 0.98 DRD2 (0.97) DRD2DRD3ACHEDRD4MTNR1A
Hydrochloric Acid SCHEMBL3001108 0.98 DRD2 (0.97) DRD2DRD3ACHEDRD4MTNR1A
Hydrochloric Acid SCHEMBL5216725 0.98 DRD2 (0.97) DRD2DRD3ACHEDRD4MTNR1A
SCHEMBL19900934 0.93 DRD2 (0.87) DRD2DRD3ACHECA1CA2
SCHEMBL264631 0.93 DRD2 (0.87) DRD2DRD3ACHECA1CA2
SCHEMBL30416676 0.93 DRD2 (0.87) DRD2DRD3ACHECA1CA2
Hydrochloric Acid SCHEMBL2991649 0.92 DRD2 (0.84) DRD2DRD3ACHECA1CA2
Hydrochloric Acid SCHEMBL30298163 0.92 DRD2 (0.84) DRD2DRD3ACHECA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2684953-B1 MODIFIED AMINOTRANSFERASE, GENE THEREOF, AND METHOD FOR PRODUCING OPTICALLY ACTIVE AMINO COMPOUND USING SAME KANEKA CORP (JP) 2017-06-28 EP claimed
US-9029113-B2 Modified aminotransferase, gene thereof, and method for producing optically active amino compound using same KANEKA CORPORATION (JP) 2015-05-12 US 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
EP-2022852-B1 METHOD FOR PRODUCTION OF OPTICALLY ACTIVE AMINE COMPOUND, RECOMBINANT VECTOR, AND TRANSFORMANT CARRYING THE VECTOR KANEKA CORP (JP) 2017-07-05 EP disclosed
EP-2684953-B1 MODIFIED AMINOTRANSFERASE, GENE THEREOF, AND METHOD FOR PRODUCING OPTICALLY ACTIVE AMINO COMPOUND USING SAME KANEKA CORP (JP) 2017-06-28 EP disclosed
US-9029113-B2 Modified aminotransferase, gene thereof, and method for producing optically active amino compound using same KANEKA CORPORATION (JP) 2015-05-12 US disclosed
EP-2684953-A1 MODIFIED AMINOTRANSFERASE, GENE THEREOF, AND METHOD FOR PRODUCING OPTICALLY ACTIVE AMINO COMPOUND USING SAME Kaneka Corporation (JP) 2014-01-15 EP disclosed
US-20140004575-A1 MODIFIED AMINOTRANSFERASE, GENE THEREOF, AND METHOD FOR PRODUCING OPTICALLY ACTIVE AMINO COMPOUND USING SAME KANEKA CORPORATION (JP) 2014-01-02 US disclosed
US-8431378-B2 Aminotransferase, gene encoding the same, and methods of using them KANEKA CORPORATION (JP) 2013-04-30 US disclosed
US-20120164724-A1 NOVEL AMINOTRANSFERASE, GENE ENCODING THE SAME, AND METHODS OF USING THEM KANEKA CORPORATION (JP) 2012-06-28 US disclosed
US-8168412-B2 Method for producing optically-active amine compound, recombinant vector, and transformant containing the vector KANEKA CORPORATION (JP) 2012-05-01 US disclosed
US-7172885-B2 Contacting chiral primary amine, omega-transaminase, and amino acceptor to convert into ketone; stereospecific; gene expression CAMBREX NORTH BRUNSWICK, INC. (US) 2007-02-06 US disclosed
US-20060228788-A1 Thermostable omega-transaminases CAMBRED KARLSKOGA AB (SE) 2006-10-12 US disclosed
WO-2006063336-A2 THERMOSTABLE OMEGA-TRANSAMINASES CAMBREX NORTH BRUNSWICK, INC. (US) 2006-06-15 WO disclosed
US-20050153408-A1 7-substituted-2-tetralone or bisulfite adduct is reduced microorganism (Candida) to optically active 7-substituted-2-tetralol;sulfonyl group is introduced to hydroxy group to form optically active 7-substituted-2-sulfonyloxytetralin; nitrogen substituent is introduced via ammonia; industrial scale KANEKA CORPORATION (JP) 2005-07-14 US disclosed
EP-1457570-A1 PROCESS FOR PREPARATION OF 2-AMINOTETRALIN DERIVATIVES AND INTERMEDIATES THEREOF KANEKA CORPORATION (JP) 2004-09-15 EP disclosed
EP-0683236-B1 Enzymatic process for the preparation of optical active tetralin-derivatives SANOFI SYNTHELABO (FR) 2000-08-09 EP disclosed
EP-0683236-A1 Enzymatic process for the preparation of optical active tetralin-derivatives SANOFI (FR) 1995-11-22 EP disclosed
EP-0678579-A1 Enzymatic process for the preparation of optical active tetralin-derivatives MIDY S.p.A. (IT) 1995-10-25 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-20060228788-A1 Thermostable omega-transaminases FADS2, SCD, CES1 DRD2 1361/4885DRD3 1701/4885ACHE 134/4885

“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.