SCHEMBL3160665

SCHEMBL3160665

COc1ccccc1N1CCN(CCC(=O)O)CC1

nearest known ligand 0.79

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.79
HTR7 P34969 1/20 0.69
ALDH1A1 P00352 2/20 0.68
MAPT P10636 1/20 0.68
HTT P42858 1/20 0.68
KMT2A Q03164 1/20 0.68
DRD2 P14416 3/20 0.68
ADRA1D P25100 1/20 0.67
ADRA1A P35348 1/20 0.67
ADRA1B P35368 1/20 0.67
HTR2A P28223 1/20 0.66
KDM4E B2RXH2 1/20 0.66
TDP1 Q9NUW8 1/20 0.66
DRD3 P35462 1/20 0.64

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
Benzene SCHEMBL10433203 1.00 HTR1A (0.79) HTR1AHTR7ALDH1A1MAPTHTT
SCHEMBL1491175 0.92 HTR1A (0.71) HTR1AHTR7ALDH1A1KMT2ADRD2
SCHEMBL11030623 0.90 HTR1A (0.73) HTR1AHTR7ALDH1A1KMT2ADRD2
SCHEMBL15743486 0.89 HTR1A (0.67) HTR1AALDH1A1KMT2ADRD2ADRA1D
SCHEMBL6352028 0.88 HTR1A (1.00) HTR1AALDH1A1MAPTHTTKMT2A
SCHEMBL5485622 0.88 HTR1A (0.73) HTR1AHTR7ALDH1A1MAPTHTT
SCHEMBL6237142 0.87 ALDH1A1 (0.65) HTR1AHTR7ALDH1A1KMT2ADRD2
Hydrochloric Acid SCHEMBL11047857 0.86 HTR1A (0.71) HTR1AHTR7ALDH1A1MAPTHTT
SCHEMBL5011780 0.86 HTR1A (0.73) HTR1AHTR7ALDH1A1DRD2ADRA1D
SCHEMBL14007328 0.86 HTR7 (0.69) HTR1AHTR7KMT2ADRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8247420-B2 Compositions, synthesis, and methods of using quinolinone based atypical antipsychotic agents REVIVA PHARMACEUTICALS, INC. (US) 2012-08-21 US disclosed
EP-2162135-A1 COMPOSITIONS, SYNTHESIS, AND METHODS OF USING QUINOLINONE BASED ATYPICAL ANTIPSYCHOTIC AGENTS Reviva Pharmaceuticals, Inc. (US) 2010-03-17 EP disclosed
US-20080312091-A1 INVERTEBRATE ACETYLCHOLINESTERASE INHIBITORS MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH 2008-12-18 US disclosed
WO-2008144764-A1 COMPOSITIONS, SYNTHESIS, AND METHODS OF USING QUINOLINONE BASED ATYPICAL ANTIPSYCHOTIC AGENTS REVIVA PHARMACEUTICALS, INC. (US) 2008-11-27 WO disclosed
US-20080293736-A1 Compositions, Synthesis, and Methods of Using Quinolinone Based Atypical Antipsychotic Agents REVIVA PHARMACEUTICALS, INC. (US) 2008-11-27 US disclosed
WO-2008093920-A2 1,2-DIHYDRO-1-OXOPHTHALAZINYL DERIVATIVES HAVING BIOLOGICAL ACTIVITY ON SEROTONIN RECEPTORS 5-HT2A AND 5-HT2C, AND PREPARATION THEREOF DONGBU HITEK CO., LTD. (KR) 2008-08-07 WO disclosed
CN-1246323-C Nitrogen-based camptothecin derivatives CALIFORNIA PACIFIC MED CENTER (US) 2006-03-22 CN 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-20080293736-A1 Compositions, Synthesis, and Methods of Using Quinolinone Based Atypical Antipsychotic Agents GRIN2D, GRIN2C, AP3D1 HTR1A 77/4885HTR7 144/4885ALDH1A1 2027/4885

“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.