SCHEMBL5448482

SCHEMBL5448482

COc1ccc(N2CCN(C)CC2)c2c1CCN(C(=O)Cc1ccc(NS(=O)(=O)c3ccccc3)cc1)C2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 7/20 0.56
ALDH1A1 P00352 3/20 0.48
KMT2A Q03164 2/20 0.48
ALOX15 P16050 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
HTR1A P08908 4/20 0.46
HTR1D P28221 4/20 0.46
HTR1B P28222 4/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
DRD2 P14416 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HTR1E P28566 1/20 0.46
HTR1F P30939 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTR7 P34969 1/20 0.46
ADRA1B P35368 1/20 0.46

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
SCHEMBL14596914 0.93 ALDH1A1 (0.49) HTR6ALDH1A1KMT2AALOX15KDM4E
SCHEMBL5450122 0.92 HTR6 (0.49) HTR6ALDH1A1KMT2AALOX15KDM4E
SCHEMBL5455059 0.91 MOGAT2 (0.50) HTR6ALDH1A1KMT2AALOX15KDM4E
SCHEMBL14596911 0.89 KMT2A (0.47) HTR6ALDH1A1KMT2AALOX15KDM4E
SCHEMBL5458927 0.89 MTHFD2 (0.47) HTR6ALDH1A1KMT2AALOX15KDM4E
SCHEMBL14596912 0.88 HTR6 (0.49) HTR6ALDH1A1KMT2AALOX15KDM4E
SCHEMBL5465837 0.88 USP2 (0.49) HTR6ALDH1A1KMT2AMEN1CYP3A4
SCHEMBL5454876 0.87 HTR6 (0.43) HTR6ALDH1A1KMT2AALOX15KDM4E
SCHEMBL5445015 0.87 NPC1 (0.58) KMT2AALOX15KDM4EHTR1AHTR1D
SCHEMBL5456835 0.86 NPC1 (0.49) HTR6ALDH1A1KMT2AALOX15KDM4E

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
US-20070010526-A1 Therapeutic isoquinoline compounds ASTRAZENECA AB (SE) 2007-01-11 US disclosed
US-20070010526-A1 Therapeutic isoquinoline compounds ASTRAZENECA AB (SE) 2007-01-11 US 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 HTR6 14/4885ALDH1A1 816/4885KMT2A 1271/4885

“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.