SCHEMBL2486274

SCHEMBL2486274

CCCNC1CCc2c(cccc2OC(C)=O)C1

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 12/20 0.72
DRD3 P35462 11/20 0.72
DRD4 P21917 5/20 0.72
MTNR1A P48039 2/20 0.55
MTNR1B P49286 2/20 0.55
HTR1D P28221 3/20 0.52
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
ACHE P22303 2/20 0.50
HTR1B P28222 1/20 0.46

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
SCHEMBL7899018 1.00 DRD2 (0.72) DRD2DRD3DRD4MTNR1AMTNR1B
Bromide SCHEMBL2482899 0.99 DRD2 (0.70) DRD2DRD3DRD4MTNR1AMTNR1B
SCHEMBL17446303 0.85 DRD2 (0.64) DRD2DRD3DRD4MTNR1AMTNR1B
SCHEMBL17446276 0.85 DRD2 (0.64) DRD2DRD3DRD4MTNR1AMTNR1B
SCHEMBL17446277 0.85 DRD2 (0.64) DRD2DRD3DRD4MTNR1AMTNR1B
SCHEMBL23174465 0.85 DRD2 (0.64) DRD2DRD3DRD4MTNR1AMTNR1B
SCHEMBL17446278 0.85 DRD2 (0.64) DRD2DRD3DRD4MTNR1AMTNR1B
SCHEMBL23174509 0.85 DRD2 (0.64) DRD2DRD3DRD4MTNR1AMTNR1B
SCHEMBL17446304 0.85 DRD2 (0.64) DRD2DRD3DRD4MTNR1AMTNR1B
SCHEMBL7454456 0.84 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170305877-A1 Processes for the Preparation of Rotigotine and Intermediates Thereof APOTEX INC. (CA) 2017-10-26 US disclosed
US-20160297745-A1 ENDODONTIC POST SYSTEM APOTEX INC (CA) 2016-10-13 US disclosed
US-8513438-B2 Process for the preparation of (6S)-(-)-5,6,7,8-tetrahydro-6-[propyl-(2-thienyl)ethyl]amino-1-naphthol (Rotigotine) INTERQUIM, S.A. (ES) 2013-08-20 US disclosed
US-8513438-B2 Process for the preparation of (6S)-(-)-5,6,7,8-tetrahydro-6-[propyl-(2-thienyl)ethyl]amino-1-naphthol (Rotigotine) INTERQUIM, S.A. (ES) 2013-08-20 US disclosed
EP-2376470-B1 PROCESS FOR THE PREPARATION OF (6S)-(-)-5,6,7,8-TETRAHYDRO-6-[PROPYL-(2-THIENYL)ETHYL]AMINO-1-NAPHTHOL (ROTIGOTINE) INTERQUIM SA (ES) 2013-04-10 EP disclosed
US-20110306776-A1 PROCESS FOR THE PREPARATION OF (6S)-(-)-5,6,7,8-TETRAHYDRO-6-[PROPYL-(2-THIENYL)ETHYL]AMINO-1-NAPHTHOL (ROTIGOTINE) INTERQUIM, S.A. (ES) 2011-12-15 US disclosed
US-20110306776-A1 PROCESS FOR THE PREPARATION OF (6S)-(-)-5,6,7,8-TETRAHYDRO-6-[PROPYL-(2-THIENYL)ETHYL]AMINO-1-NAPHTHOL (ROTIGOTINE) INTERQUIM, S.A. (ES) 2011-12-15 US disclosed
EP-2376470-A1 PROCESS FOR THE PREPARATION OF (6S)-(-)-5,6,7,8-TETRAHYDRO-6-ÝPROPYL-(2-THIENYL)ETHYL¨AMINO-1-NAPHTHOL (ROTIGOTINE) Interquim, S.A (ES) 2011-10-19 EP disclosed
EP-2376470-A1 PROCESS FOR THE PREPARATION OF (6S)-(-)-5,6,7,8-TETRAHYDRO-6-ÝPROPYL-(2-THIENYL)ETHYL¨AMINO-1-NAPHTHOL (ROTIGOTINE) Interquim, S.A (ES) 2011-10-19 EP disclosed
WO-2010066755-A1 PROCESS FOR THE PREPARATION OF (6S)-(-)-5,6,7,8-TETRAHYDRO-6-[PROPYL-(2-THIENYL)ETHYL]AMINO-1-NAPHTHOL (ROTIGOTINE) INTERQUIM, S.A. (ES) 2010-06-17 WO disclosed
WO-2010066755-A1 PROCESS FOR THE PREPARATION OF (6S)-(-)-5,6,7,8-TETRAHYDRO-6-[PROPYL-(2-THIENYL)ETHYL]AMINO-1-NAPHTHOL (ROTIGOTINE) INTERQUIM, S.A. (ES) 2010-06-17 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 (3 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-20110306776-A1 PROCESS FOR THE PREPARATION OF (6S)-(-)-5,6,7,8-TETRAHYDRO-6-[PROPYL-(2-THIENYL)ETHYL]AMINO-1-NAPHTHOL (ROTIGOTINE) NAT1, COMT, PARK7 DRD2 228/4885DRD3 161/4885DRD4 178/4885
US-20170305877-A1 Processes for the Preparation of Rotigotine and Intermediates Thereof C1S, C1R, C3AR1 DRD2 119/4885DRD3 105/4885DRD4 126/4885
US-20160297745-A1 ENDODONTIC POST SYSTEM ABCB11, EXOC3, C1S DRD2 552/4885DRD3 125/4885DRD4 529/4885

“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.