SCHEMBL220421

SCHEMBL220421

CCn1ncc2c(NC3CCCCC3)c(C(=O)N(C)OC)c(C)nc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 10/20 0.56
MEN1 O00255 1/20 0.47
GMNN O75496 1/20 0.47
USP2 O75604 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
MAPT P10636 1/20 0.47
CYP2C9 P11712 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP2C19 P33261 1/20 0.47
THPO P40225 1/20 0.47
BLM P54132 1/20 0.47
PMP22 Q01453 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL223086 0.91 PDE4B (0.58) PDE4BPDE7A
SCHEMBL222457 0.87 PDE4B (0.51) PDE4BPDE4DPDE7A
SCHEMBL222453 0.86 PDE4B (0.71) PDE4BMEN1GMNNUSP2ALDH1A1
SCHEMBL222371 0.86 PDE4B (0.59) PDE4BMEN1GMNNUSP2ALDH1A1
SCHEMBL4950074 0.85 PDE4B (0.58) PDE4BMEN1GMNNUSP2ALDH1A1
SCHEMBL582494 0.82 PDE4B (0.72) PDE4BPDE4D
SCHEMBL582847 0.81 PDE4B (0.71) PDE4BPDE4D
SCHEMBL12812395 0.81 PDE4B (0.59) PDE4BMEN1GMNNUSP2ALDH1A1
SCHEMBL254775 0.78 PDE4B (0.52) PDE4B
SCHEMBL4338691 0.78 PDE4B (0.60) PDE4BPDE4D

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-20120004201-A1 PHOSPHODIESTARASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-01-05 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-20120004201-A1 PHOSPHODIESTARASE INHIBITORS PDE4A, PDE7A, PDE4B PDE4B 3/4885MEN1 4419/4885GMNN 4287/4885

“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.