SCHEMBL720578

SCHEMBL720578

CN(CCC(=O)O)C(=O)c1ccc(NC(c2nn(C3CCCCC3)c3ccccc23)C2CCCCC2)cc1.C[N+]1(C2CCCCC2)N=C(C(=O)O)c2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 2/20 0.33
RCE1 Q9Y256 1/20 0.31
ABL1 P00519 1/20 0.30
RIN1 Q13671 1/20 0.30

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
SCHEMBL3403468 0.88 PDE7A (0.40) PDE7ARCE1ABL1RIN1
SCHEMBL719715 0.79 HTR3A (0.37) PDE7ARCE1ABL1RIN1
SCHEMBL720161 0.79 P2RX7 (0.38) PDE7ARCE1ABL1RIN1
SCHEMBL721466 0.76 PDE7A (0.36) PDE7ARCE1ABL1RIN1
SCHEMBL717433 0.75 GCG (0.47) PDE7A
SCHEMBL718836 0.73 GCG (0.39)
SCHEMBL721467 0.71 SSTR4 (0.35) PDE7ARCE1ABL1RIN1
SCHEMBL718677 0.69 GCG (0.34)
SCHEMBL718414 0.67 GCG (0.43) RCE1ABL1RIN1
SCHEMBL718994 0.67 RCE1 (0.38) RCE1ABL1RIN1

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 2449/4885RCE1 2661/4885ABL1 2349/4885

“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.