SCHEMBL2597485

SCHEMBL2597485

CCC(=O)NC1CCc2c(cccc2OC)C1

nearest known ligand 0.84

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 7/20 0.84
MTNR1B P49286 7/20 0.84
CYP1A2 P05177 1/20 0.84
MAPT P10636 1/20 0.84
CYP2C9 P11712 1/20 0.84
ALOX15 P16050 1/20 0.84
CA1 P00915 2/20 0.72
CA2 P00918 2/20 0.72
ACHE P22303 2/20 0.72
DRD2 P14416 6/20 0.67
DRD4 P21917 5/20 0.67
DRD3 P35462 4/20 0.67

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
SCHEMBL30089783 1.00 MTNR1A (0.84) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL2351965 1.00 MTNR1A (0.84) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL55299 0.91 MTNR1A (1.00) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL17335643 0.88 MTNR1A (0.81) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL7021164 0.86 MTNR1A (1.00) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL11960204 0.86 MTNR1A (1.00) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL9731034 0.86 MTNR1A (1.00) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL14452758 0.85 MTNR1A (0.79) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL7332063 0.84 MTNR1A (0.63) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL7333054 0.84 MTNR1A (0.63) MTNR1AMTNR1BCYP1A2MAPTCYP2C9

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 9 patents. 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 disclosed
CN-113234057-A Preparation method of rotigotine 成都工业学院 2021-08-10 CN disclosed
EP-2531486-B1 NOVEL PROCESS FOR THE PREPARATION OF NITROGEN SUBSTITUTED AMINOTETRALINS DERIVATIVES UCB BIOPHARMA SPRL (BE) 2017-06-21 EP disclosed
US-8729306-B2 Process for the preparation of nitrogen substituted aminotetralins derivatives UCB PHARMA GMBH (DE) 2014-05-20 US disclosed
US-8729306-B2 Process for the preparation of nitrogen substituted aminotetralins derivatives UCB PHARMA GMBH (DE) 2014-05-20 US disclosed
US-20120302790-A1 Novel Process for the Preparation of Nitrogen Substituted Aminotetralins Derivatives UCB PHARMA, S.A. (BE) 2012-11-29 US disclosed
US-20120302790-A1 Novel Process for the Preparation of Nitrogen Substituted Aminotetralins Derivatives UCB PHARMA, S.A. (BE) 2012-11-29 US disclosed
WO-2011146610-A2 AN ENANTIOSELECTIVE SYNTHESIS OF CHIRAL AMINES FOR THE PRODUCTION OF ROTIGOTINE DR. REDDY'S LABORATORIES LTD. (IN) 2011-11-24 WO disclosed
WO-2011095539-A2 NOVEL PROCESS FOR THE PREPARATION OF NITROGEN SUBSTITUTED AMINOTETRALINS DERIVATIVES UCB PHARMA GMBH (DE) 2011-08-11 WO 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-20120302790-A1 Novel Process for the Preparation of Nitrogen Substituted Aminotetralins Derivatives AADAT, AANAT, ASNS MTNR1A 1238/4885MTNR1B 913/4885CYP1A2 59/4885

“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.