SCHEMBL2025316

SCHEMBL2025316

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

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.74
DRD4 P21917 6/20 0.68
DRD3 P35462 6/20 0.68
HTR1A P08908 1/20 0.67
ADRA2A P08913 1/20 0.67
ADORA3 P0DMS8 1/20 0.67
CHRM1 P11229 1/20 0.67
ADRA2B P18089 1/20 0.67
ADRA2C P18825 1/20 0.67
CNR1 P21554 1/20 0.67
DRD1 P21728 1/20 0.67
ACHE P22303 1/20 0.67
SLC6A2 P23975 1/20 0.67
HTR2A P28223 1/20 0.67
SLC6A4 P31645 1/20 0.67
ADRA1A P35348 1/20 0.67
PTGS2 P35354 1/20 0.67
HRH1 P35367 1/20 0.67
OPRM1 P35372 1/20 0.67
OPRD1 P41143 1/20 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
SCHEMBL2022870 1.00 DRD2 (0.74) DRD2DRD4DRD3HTR1AADRA2A
SCHEMBL2020786 1.00 DRD2 (0.74) DRD2DRD4DRD3HTR1AADRA2A
SCHEMBL1682779 0.93 DRD2 (0.86) DRD2DRD4DRD3HTR1AADRA2A
SCHEMBL29992240 0.93 DRD2 (0.86) DRD2DRD4DRD3HTR1AADRA2A
SCHEMBL1987776 0.93 DRD2 (0.86) DRD2DRD4DRD3HTR1AADRA2A
SCHEMBL31556291 0.93 DRD2 (0.86) DRD2DRD4DRD3HTR1AADRA2A
Hydrochloric Acid SCHEMBL3467871 0.92 DRD2 (0.85) DRD2DRD4DRD3HTR1AADRA2A
Hydrochloric Acid SCHEMBL3467872 0.92 DRD2 (0.85) DRD2DRD4DRD3HTR1AADRA2A
SCHEMBL2218622 0.87 DRD2 (0.82) DRD2DRD4DRD3HTR1ACHRM1
SCHEMBL2021033 0.86 HTR1A (0.84) DRD2DRD4DRD3HTR1AADRA2A

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 DRD2 946/4885DRD4 1001/4885DRD3 1150/4885
US-20130331429-A1 AMINOTETRALINE DERIVATIVES AADAT, ABAT, SLC1A2 DRD2 415/4885DRD4 562/4885DRD3 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.