SCHEMBL4064849

SCHEMBL4064849

Cc1cn(Cc2ccccc2)c(=O)c2ncccc12

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 4/20 0.47
KAT2B Q92831 1/20 0.47
HPGD P15428 1/20 0.47
BRD4 O60885 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
CHRM1 P11229 3/20 0.45
PDE4B Q07343 3/20 0.43
PDE4C Q08493 3/20 0.43
PDE4D Q08499 3/20 0.43
PDE3B Q13370 2/20 0.43
PDE3A Q14432 2/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SLC6A2 P23975 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL15815770 0.83 PDE4A (0.47) PDE4AKAT2BCHRM1PDE4BPDE4C
SCHEMBL20791838 0.80 L3MBTL1 (0.56) PDE4AKAT2BHPGDBRD4L3MBTL1
SCHEMBL15815215 0.78 BRD4 (0.54) PDE4ABRD4L3MBTL1CHRM1PDE4B
SCHEMBL15815214 0.78 PSMB5 (0.52) PDE4AKAT2BHPGDPDE4BPDE4C
SCHEMBL7415586 0.77 DHPS (0.51) PDE4AKAT2BBRD4CHRM1PDE4B
SCHEMBL19871784 0.75 BRD4 (0.36) KAT2BBRD4
SCHEMBL15815698 0.73 BRD4 (0.54) PDE4ABRD4L3MBTL1PDE4BPDE4C
SCHEMBL4064145 0.72 MAPK14 (0.47) PDE4AKAT2B
SCHEMBL28495369 0.72 HPGD (0.57) HPGDBRD4MEN1KMT2AHTT
SCHEMBL4574498 0.72 HPGD (0.47) HPGDBRD4CHRM1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009038812-A1 CONDENSED PIPERIDINE DERIVATIVES USEFUL AS VANILLOID RECEPTOR LIGANDS AMGEN INC. (US) 2009-03-26 WO disclosed
WO-2009038812-A1 CONDENSED PIPERIDINE DERIVATIVES USEFUL AS VANILLOID RECEPTOR LIGANDS AMGEN INC. (US) 2009-03-26 WO disclosed
US-20090082358-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2009-03-26 US disclosed
US-20090082358-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2009-03-26 US disclosed
US-20090082358-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2009-03-26 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-20090082358-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV3, TRPV2 PDE4A 512/4885KAT2B 1438/4885HPGD 517/4885

“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.