SCHEMBL2021960

SCHEMBL2021960

CCCN(CCc1cccs1)[C@H]1CCc2cccc(O)c2C1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.84
DRD2 P14416 6/20 0.84
DRD3 P35462 6/20 0.84
DRD4 P21917 4/20 0.84
HTR2A P28223 2/20 0.84
ADRA1A P35348 2/20 0.84
HTR2B P41595 2/20 0.84
DRD1 P21728 2/20 0.84
ADRA2A P08913 1/20 0.84
ADORA3 P0DMS8 1/20 0.84
CHRM1 P11229 1/20 0.84
ADRA2B P18089 1/20 0.84
ADRA2C P18825 1/20 0.84
CNR1 P21554 1/20 0.84
ACHE P22303 1/20 0.84
SLC6A2 P23975 1/20 0.84
SLC6A4 P31645 1/20 0.84
PTGS2 P35354 1/20 0.84
HRH1 P35367 1/20 0.84
OPRM1 P35372 1/20 0.84

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
SCHEMBL2021032 1.00 HTR1A (0.84) HTR1ADRD2DRD3DRD4HTR2A
SCHEMBL2021033 1.00 HTR1A (0.84) HTR1ADRD2DRD3DRD4HTR2A
Rotigotine SCHEMBL1088585 0.92 DRD2 (1.00) HTR1ADRD2DRD3DRD4HTR2A
Rotigotine SCHEMBL50425 0.92 DRD2 (1.00) HTR1ADRD2DRD3DRD4HTR2A
Rotigotine SCHEMBL29354493 0.92 DRD2 (1.00) HTR1ADRD2DRD3DRD4HTR2A
Rotigotine SCHEMBL9405994 0.92 DRD2 (1.00) HTR1ADRD2DRD3DRD4HTR2A
Rotigotine SCHEMBL30200958 0.92 DRD2 (1.00) HTR1ADRD2DRD3DRD4HTR2A
Rotigotine SCHEMBL2597403 0.91 DRD2 (0.98) HTR1ADRD2DRD3DRD4HTR2A
Rotigotine SCHEMBL15970012 0.91 DRD2 (0.98) HTR1ADRD2DRD3DRD4HTR2A
Rotigotine SCHEMBL2597402 0.91 DRD2 (0.98) HTR1ADRD2DRD3DRD4HTR2A

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2516383-B1 NEW AMINOTETRALINE DERIVATIVES GMEINER PETER (DE) 2017-05-03 EP claimed
US-8691839-B2 Aminotetraline derivatives GMEINER PETER (DE) 2014-04-08 US claimed
US-20130331429-A1 AMINOTETRALINE DERIVATIVES GMEINER PETER (DE) 2013-12-12 US claimed
US-8586603-B2 Aminotetraline derivatives GMEINER PETER (DE) 2013-11-19 US claimed
US-20120277262-A1 NEW AMINOTETRALINE DERIVATIVES GMEINER PETER (DE) 2012-11-01 US claimed
EP-2516383-A1 NEW AMINOTETRALINE DERIVATIVES Gmeiner, Peter (DE) 2012-10-31 EP claimed
WO-2011076708-A1 NEW AMINOTETRALINE DERIVATIVES GMEINER PETER (DE) 2011-06-30 WO claimed
EP-2338873-A1 New aminotetraline derivatives Gmeiner, Peter (DE) 2011-06-29 EP claimed
EP-2516383-B1 NEW AMINOTETRALINE DERIVATIVES GMEINER PETER (DE) 2017-05-03 EP disclosed
US-8691839-B2 Aminotetraline derivatives GMEINER PETER (DE) 2014-04-08 US disclosed
US-20130331429-A1 AMINOTETRALINE DERIVATIVES GMEINER PETER (DE) 2013-12-12 US disclosed
US-8586603-B2 Aminotetraline derivatives GMEINER PETER (DE) 2013-11-19 US disclosed
US-20120277262-A1 NEW AMINOTETRALINE DERIVATIVES GMEINER PETER (DE) 2012-11-01 US disclosed
EP-2516383-A1 NEW AMINOTETRALINE DERIVATIVES Gmeiner, Peter (DE) 2012-10-31 EP disclosed
WO-2011076708-A1 NEW AMINOTETRALINE DERIVATIVES GMEINER PETER (DE) 2011-06-30 WO disclosed
EP-2338873-A1 New aminotetraline derivatives Gmeiner, Peter (DE) 2011-06-29 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 (2 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-20120277262-A1 NEW AMINOTETRALINE DERIVATIVES AADAT, ABAT, AANAT HTR1A 159/4885DRD2 946/4885DRD3 1150/4885
US-20130331429-A1 AMINOTETRALINE DERIVATIVES AADAT, ABAT, SLC1A2 HTR1A 122/4885DRD2 415/4885DRD3 673/4885

“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.