SCHEMBL1486947

SCHEMBL1486947

CCOC(=O)c1[nH]c2ccccc2c1CCN

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 1.00
HTR1A P08908 1/20 0.73
DRD2 P14416 1/20 0.73
DRD4 P21917 1/20 0.73
HTR1D P28221 1/20 0.73
HTR1B P28222 1/20 0.73
HTR1F P30939 1/20 0.73
HTR7 P34969 1/20 0.73
DRD3 P35462 1/20 0.73
ALDH1A1 P00352 5/20 0.64
MAPT P10636 4/20 0.64
NPSR1 Q6W5P4 1/20 0.64
TUBB4A P04350 2/20 0.58
TUBB P07437 2/20 0.58
TUBA3C P0DPH7 2/20 0.58
TUBA1B P68363 2/20 0.58
TUBA4A P68366 2/20 0.58
TUBB4B P68371 2/20 0.58
TUBB3 Q13509 2/20 0.58
TUBB2A Q13885 2/20 0.58

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
Hydrochloric Acid SCHEMBL1486945 0.99 HTR6 (0.97) HTR6HTR1ADRD2DRD4HTR1D
SCHEMBL3033159 0.89 HTR6 (0.80) HTR6HTR1ADRD2DRD4HTR1D
SCHEMBL2204865 0.86 HTR6 (0.76) HTR6HTR1ADRD2DRD4HTR1D
SCHEMBL9499798 0.86 HTR6 (0.76) HTR6HTR1ADRD2DRD4HTR1D
SCHEMBL3029129 0.86 HTR6 (0.75) HTR6HTR1ADRD2DRD4HTR1D
SCHEMBL2204353 0.85 HTR6 (0.74) HTR6HTR1ADRD2DRD4HTR1D
SCHEMBL7381366 0.85 HTR6 (0.74) HTR6HTR1ADRD2DRD4HTR1D
SCHEMBL3195026 0.85 HTR6 (0.73) HTR6HTR1ADRD2DRD4HTR1D
SCHEMBL9094606 0.84 HTR6 (0.73) HTR6HTR1ADRD2DRD4HTR1D
SCHEMBL9686881 0.83 HTR6 (0.71) HTR6HTR1ADRD2DRD4HTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9988377-B2 Small molecule inducers of GDNF as potential new therapeutics for neuropsychiatric disorders THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2018-06-05 US disclosed
US-20110053925-A1 Hydroxamate-Based Inhibitors of Deacetylases NOVARTIS AG 2011-03-03 US disclosed
EP-1370561-A2 TETRAHYDRO-PYRAZINO[1,2-A]INDOLES FOR THE TREATMENT OF CENTRAL NERVOUS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2003-12-17 EP disclosed
WO-2002072584-A2 TETRAHYDRO-PYRAZINO (1,2-A) INDOLES FOR THE TREATMENT OF CENTRAL NERVOUS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2002-09-19 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 (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-20110053925-A1 Hydroxamate-Based Inhibitors of Deacetylases HDAC1, HDAC11, HDAC3 HTR6 2255/4885HTR1A 1510/4885DRD2 4352/4885

“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.