SCHEMBL12640603

SCHEMBL12640603

CCCN(C(=O)CC1CCCCC1)C1CCc2cccc([N+](=O)[O-])c2C1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.43
HTR7 P34969 3/20 0.43
DRD2 P14416 2/20 0.43
HTR1D P28221 2/20 0.43
DRD3 P35462 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
TSHR P16473 1/20 0.43
HTR1B P28222 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
HTR2B P41595 1/20 0.43
HTR5A P47898 1/20 0.43
BLM P54132 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
PMP22 Q01453 1/20 0.42

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
SCHEMBL7445601 0.78 DRD2 (0.42) HTR1AHTR7DRD2DRD3
SCHEMBL8311336 0.74 HTR2A (0.43) HTR1AHTR7DRD2HTR1DDRD3
SCHEMBL8317710 0.72 VCAM1 (0.37) HTR1ADRD2ALDH1A1
SCHEMBL7447925 0.72 ALDH1A1 (0.40) HTR1AHTR7DRD2DRD3ALDH1A1
SCHEMBL8631076 0.71 DRD2 (0.36) HTR1ADRD2CYP1A2CYP2D6TSHR
SCHEMBL8633421 0.71 HTR1A (0.51) HTR1AHTR7DRD2HTR1DDRD3
SCHEMBL8312041 0.71 HTR1A (0.51) HTR1AHTR7DRD2HTR1DDRD3
SCHEMBL13434155 0.69 ADH1A (0.43) DRD2DRD3CYP1A2
SCHEMBL9755468 0.69 HTR1D (0.66) HTR1ADRD2HTR1DHTR1B
SCHEMBL8845620 0.69 FYN (0.38) HTR1ADRD2DRD3CYP2D6LMNA

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 6 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-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
US-20120277262-A1 NEW AMINOTETRALINE DERIVATIVES GMEINER PETER (DE) 2012-11-01 US 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 (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-20120277262-A1 NEW AMINOTETRALINE DERIVATIVES AADAT, ABAT, AANAT HTR1A 159/4885HTR7 119/4885DRD2 946/4885

“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.