SCHEMBL5458927

SCHEMBL5458927

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTHFD2 P13995 3/20 0.47
HTR1A P08908 5/20 0.42
HTR1D P28221 5/20 0.42
HTR1B P28222 5/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 1/20 0.42
ABCB1 P08183 2/20 0.42
ABCC1 P33527 1/20 0.41
HTR6 P50406 5/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ALOX15 P16050 1/20 0.41
NAMPT P43490 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
HTR7 P34969 2/20 0.39
CYP1A2 P05177 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
SCHEMBL5448482 0.89 HTR6 (0.56) HTR1AHTR1DHTR1BMAPTKMT2A
SCHEMBL14596914 0.88 ALDH1A1 (0.49) HTR1AHTR1DHTR1BMAPTKMT2A
SCHEMBL5450122 0.88 HTR6 (0.49) HTR1AHTR1DHTR1BMAPTKMT2A
SCHEMBL5455059 0.86 MOGAT2 (0.50) HTR1AHTR1DHTR1BMAPTKMT2A
SCHEMBL5446341 0.86 MAPT (0.59) HTR1AHTR1DHTR1BMAPTKMT2A
SCHEMBL5449891 0.86 GFER (0.47) HTR1AHTR1DHTR1BMAPTKMT2A
SCHEMBL5461787 0.86 GFER (0.50) HTR1AHTR1DHTR1BMAPTKMT2A
SCHEMBL5454876 0.86 HTR6 (0.43) MTHFD2HTR1AHTR1DHTR1BMAPT
SCHEMBL5452778 0.85 CA1 (0.43) HTR1AHTR1DHTR1BMAPTKMT2A
SCHEMBL5448561 0.85 MAPT (0.45) MTHFD2HTR1AHTR1DHTR1BMAPT

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 MTHFD2 4243/4885HTR1A 3/4885HTR1D 2/4885

“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.