SCHEMBL5455059

SCHEMBL5455059

COc1ccc(N2CCN(C)CC2)c2c1CCN(C(=O)Cc1ccc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc1)C2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MOGAT2 Q3SYC2 4/20 0.50
HTR6 P50406 9/20 0.47
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
ALOX15 P16050 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
HTR1A P08908 1/20 0.45
CYP2D6 P10635 1/20 0.45
DRD2 P14416 1/20 0.45
HTR1D P28221 1/20 0.45
HTR1B P28222 1/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR1E P28566 1/20 0.45
HTR1F P30939 1/20 0.45
CYP2C19 P33261 1/20 0.45
HTR7 P34969 1/20 0.45

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 0.91 ALDH1A1 (0.49) HTR6ALDH1A1KDM4EMEN1ALOX15
SCHEMBL5450122 0.91 HTR6 (0.49) HTR6ALDH1A1KDM4EMEN1ALOX15
SCHEMBL5448482 0.91 HTR6 (0.56) HTR6ALDH1A1KDM4EMEN1ALOX15
SCHEMBL5451045 0.87 MAPT (0.45) HTR6ALDH1A1KDM4EMEN1ALOX15
SCHEMBL5454876 0.86 HTR6 (0.43) HTR6ALDH1A1KDM4EMEN1ALOX15
SCHEMBL5458927 0.86 MTHFD2 (0.47) HTR6ALDH1A1KDM4EMEN1ALOX15
SCHEMBL14596912 0.85 HTR6 (0.49) HTR6ALDH1A1KDM4EMEN1ALOX15
SCHEMBL14596911 0.85 KMT2A (0.47) HTR6ALDH1A1KDM4EMEN1ALOX15
SCHEMBL5452488 0.85 LMNA (0.42) HTR6ALDH1A1KDM4EMEN1ALOX15
SCHEMBL5450989 0.84 GAA (0.52) HTR6ALDH1A1KDM4EMEN1ALOX15

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 MOGAT2 3784/4885HTR6 14/4885ALDH1A1 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.