SCHEMBL721467

SCHEMBL721467

CN(CCC(=O)OC(c1nn(C)c2ccccc12)C1CCCCC1)C(=O)c1ccc(NC(c2nn(C)c3ccccc23)C2CCCCC2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.35
PDE7A Q13946 1/20 0.34
HTR3A P46098 2/20 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
ABL1 P00519 2/20 0.33
RIN1 Q13671 2/20 0.33
ALDH1A1 P00352 2/20 0.33
TSHR P16473 2/20 0.33
KAT2B Q92831 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPK1 P28482 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 0.90 HTR3A (0.37) SSTR4PDE7AHTR3AHTR3ESLC22A2
SCHEMBL721466 0.87 PDE7A (0.36) SSTR4PDE7AHTR3AHTR3ESLC22A2
SCHEMBL720161 0.81 P2RX7 (0.38) PDE7AABL1RIN1HDAC6NAMPT
SCHEMBL3403468 0.81 PDE7A (0.40) PDE7AABL1RIN1HDAC1HDAC6
SCHEMBL720006 0.74 TP53 (0.34) ABL1RIN1ALDH1A1TSHRHSD17B10
SCHEMBL720495 0.74 TEAD4 (0.34) ABL1RIN1TSHRMAPK1HSD17B10
SCHEMBL719271 0.74 OPRM1 (0.41) ABL1RIN1HDAC6RCE1
SCHEMBL13069678 0.72 NAMPT (0.34) ALDH1A1KDM4ENAMPTSMN1; SMN2LMNA
SCHEMBL716676 0.72 HPGD (0.35) ALDH1A1TSHRNAMPTLMNAHTT
SCHEMBL720578 0.71 PDE7A (0.33) PDE7AABL1RIN1RCE1

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 SSTR4 205/4885PDE7A 2449/4885HTR3A 4185/4885

“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.