SCHEMBL5458753

SCHEMBL5458753

COc1ccc(N2CCN(C)CC2)c2c1CCN(C(=O)CCCC(N)=O)C2

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 0.49
DRD2 P14416 4/20 0.49
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
HTR1D P28221 2/20 0.40
HTR1B P28222 2/20 0.40
HTR7 P34969 2/20 0.40
PTGDR2 Q9Y5Y4 4/20 0.40
KMT2A Q03164 1/20 0.39

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
SCHEMBL5461519 0.95 HTR1A (0.46) HTR1ADRD2ALDH1A1MAPTHPGD
SCHEMBL5458682 0.92 HTR1A (0.49) HTR1ADRD2ALDH1A1MAPTHPGD
SCHEMBL5452400 0.91 HTR1A (0.51) HTR1ADRD2ALDH1A1MAPTHPGD
SCHEMBL5448061 0.89 HTR1A (0.48) HTR1ADRD2ALDH1A1TMEM97SIGMAR1
SCHEMBL5449579 0.87 HTR1A (0.43) HTR1ADRD2ALDH1A1TMEM97SIGMAR1
SCHEMBL5451050 0.84 HTR1A (0.42) HTR1ADRD2ALDH1A1TMEM97SIGMAR1
SCHEMBL5457335 0.83 DRD2 (0.51) HTR1ADRD2SIGMAR1HTR1DHTR1B
SCHEMBL5444094 0.82 GFER (0.53) ALDH1A1MAPTHPGDHTTPTGDR2
SCHEMBL5450130 0.82 DRD2 (0.52) HTR1ADRD2
SCHEMBL5455289 0.82 DRD2 (0.52) HTR1ADRD2SIGMAR1HTR1DHTR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070010526-A1 Therapeutic isoquinoline compounds ASTRAZENECA AB (SE) 2007-01-11 US disclosed
EP-1451172-A1 THERAPEUTIC ISOQUINOLINE COMPOUNDS AstraZeneca AB (SE) 2004-09-01 EP disclosed
WO-2003037887-A1 THERAPEUTIC ISOQUINOLINE COMPOUNDS ASTRAZENECA AB (SE) 2003-05-08 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-20070010526-A1 Therapeutic isoquinoline compounds HTR1B, HTR1D, HTR1A HTR1A 3/4885DRD2 27/4885ALDH1A1 816/4885

“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.