SCHEMBL3293146

SCHEMBL3293146

CCCN(CCC)c1nccc2[nH]c(=O)n(C)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 1/20 0.41
PDE3B Q13370 3/20 0.37
PDE3A Q14432 3/20 0.37
RXFP1 Q9HBX9 1/20 0.35
RAB9A P51151 2/20 0.35
HTR1A P08908 5/20 0.35
DRD2 P14416 2/20 0.35
DRD3 P35462 2/20 0.35
LMNA P02545 2/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PABPC1 P11940 1/20 0.34
DPP4 P27487 1/20 0.34

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
SCHEMBL3288733 0.74 HTR1A (0.44) RAB9AHTR1ADRD2DRD3LMNA
SCHEMBL13459224 0.72 DPP4 (0.44) RAB9AHTR1ADRD2DRD3LMNA
SCHEMBL6644837 0.71 RXFP1 (0.57) PDE3BPDE3ARXFP1LMNAMEN1
SCHEMBL2084768 0.71 PDE3B (0.45) PDE3BPDE3ARXFP1LMNAMEN1
SCHEMBL3286320 0.71 RXFP1 (0.41) PDE3BPDE3ARXFP1LMNAMEN1
SCHEMBL2085663 0.70 RXFP1 (0.34) UTS2RPDE3BPDE3ARXFP1LMNA
SCHEMBL3285011 0.68 TSHR (0.43) RAB9AHTR1ADRD2DRD3LMNA
SCHEMBL3287091 0.68 CRHR1 (0.41) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL2084599 0.68 PDE3B (0.36) PDE3BPDE3ARXFP1LMNAMEN1
SCHEMBL2084597 0.68 PDE3B (0.36) PDE3BPDE3ARXFP1LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7714009-B2 Nitrogen-containing fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-11 US disclosed
US-20070135452-A1 Nitrogen-containing fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-06-14 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-20070135452-A1 Nitrogen-containing fused heterocyclic compounds NPY4R, NR4A3, NR3C2 UTS2R 116/4885PDE3B 439/4885PDE3A 567/4885

“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.