SCHEMBL721466

SCHEMBL721466

CN(CCC(=O)O)C(=O)c1ccc(NC(c2nn(C)c3ccccc23)C2CCCCC2)cc1.Cn1nc(C(O)C2CCCCC2)c2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 1/20 0.36
HTR3A P46098 2/20 0.34
GCG P01275 6/20 0.34
HTR3E A5X5Y0 1/20 0.34
SLC22A2 O15244 1/20 0.34
HTR3B O95264 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
KCNH2 Q12809 1/20 0.34
HTR3D Q70Z44 1/20 0.34
HTR3C Q8WXA8 1/20 0.34
SLC47A1 Q96FL8 1/20 0.34
SSTR4 P31391 1/20 0.34
ABL1 P00519 2/20 0.34
RIN1 Q13671 2/20 0.34
RCE1 Q9Y256 1/20 0.33
KAT2B Q92831 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL719715 0.96 HTR3A (0.37) PDE7AHTR3AGCGHTR3ESLC22A2
SCHEMBL720161 0.87 P2RX7 (0.38) PDE7AGCGABL1RIN1RCE1
SCHEMBL721467 0.87 SSTR4 (0.35) PDE7AHTR3AHTR3ESLC22A2HTR3B
SCHEMBL3403468 0.86 PDE7A (0.40) PDE7AGCGABL1RIN1RCE1
SCHEMBL720578 0.76 PDE7A (0.33) PDE7AABL1RIN1RCE1
SCHEMBL2669883 0.76 GCG (0.44) GCGSSTR4KAT2BALDH1A1NAMPT
SCHEMBL719013 0.75 GCGR (0.37) PDE7AGCGABL1RIN1RCE1
SCHEMBL719577 0.75 GCGR (0.37) GCGABL1RIN1RCE1
SCHEMBL718461 0.74 HTR3E (0.44) HTR3AHTR3ESLC22A2HTR3BCHRNB2
SCHEMBL718414 0.74 GCG (0.43) GCGABL1RIN1RCE1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 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-20120053173-A1 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP PDE7A 2449/4885HTR3A 4185/4885GCG 35/4885

“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.