SCHEMBL2022669

SCHEMBL2022669

CCCN(CCc1ccsc1)C1CCc2cccc(Br)c2C1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.68
DRD3 P35462 3/20 0.68
DRD4 P21917 1/20 0.68
HTR1A P08908 3/20 0.54
HTR7 P34969 3/20 0.54
HTR1D P28221 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
TSHR P16473 1/20 0.54
HTR1B P28222 1/20 0.54
HTR2A P28223 1/20 0.54
HTR2C P28335 1/20 0.54
ADRA1A P35348 1/20 0.54
ADRA1B P35368 1/20 0.54
HTR2B P41595 1/20 0.54
HTR5A P47898 1/20 0.54
BLM P54132 1/20 0.53
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
PMP22 Q01453 1/20 0.53

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
SCHEMBL2022096 0.88 DRD2 (0.85) DRD2DRD3DRD4HTR1AHTR7
SCHEMBL2022970 0.88 DRD2 (0.68) DRD2DRD3DRD4HTR1AHTR7
Ammonia Solution, Strong SCHEMBL2024285 0.87 DRD2 (0.67) DRD2DRD3DRD4HTR1AHTR7
SCHEMBL2019672 0.87 DRD2 (0.67) DRD2DRD3DRD4HTR1AHTR1D
SCHEMBL2026274 0.87 DRD2 (0.67) DRD2DRD3DRD4HTR1AHTR7
SCHEMBL2022065 0.86 DRD2 (0.66) DRD2DRD3DRD4HTR1AHTR7
SCHEMBL2028793 0.86 HTR1A (0.74) DRD2DRD3DRD4HTR1AHTR7
SCHEMBL8634782 0.85 HTR1A (0.71) DRD2DRD3HTR1AHTR7HTR1D
SCHEMBL7763389 0.85 HTR1A (0.71) DRD2DRD3HTR1AHTR7HTR1D
SCHEMBL8630151 0.85 HTR1A (0.71) DRD2DRD3HTR1AHTR7HTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 946/4885DRD3 1150/4885DRD4 1001/4885
US-20130331429-A1 AMINOTETRALINE DERIVATIVES AADAT, ABAT, SLC1A2 DRD2 415/4885DRD3 673/4885DRD4 562/4885

“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.