SCHEMBL4202006

SCHEMBL4202006

CC(NC(N)=O)c1ccc2nc(N3CCC(CCN4CCCC4)CC3)nc(NCc3ccc(Cl)cc3Cl)c2c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 13/20 0.43
HTR3A P46098 5/20 0.43
PDE4A P27815 2/20 0.42
PDE4B Q07343 2/20 0.42
PDE4C Q08493 2/20 0.42
PDE4D Q08499 2/20 0.42
CTNNB1 P35222 2/20 0.41
TCF7L2 Q9NQB0 2/20 0.41
CCR4 P51679 3/20 0.41
PDE2A O00408 1/20 0.41
PDE5A O76074 1/20 0.41
PDE1A P54750 1/20 0.41
PDE1B Q01064 1/20 0.41
PDE1C Q14123 1/20 0.41
HRH1 P35367 1/20 0.40

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
SCHEMBL4207835 0.84 HRH4 (0.49) HRH4HTR3APDE4APDE4BPDE4C
SCHEMBL4206973 0.83 HRH4 (0.53) HRH4HTR3APDE4APDE4BPDE4C
SCHEMBL4202001 0.82 CTNNB1 (0.46) HRH4HTR3APDE4APDE4BPDE4C
SCHEMBL13780063 0.80 HRH4 (0.51) HRH4HTR3APDE4APDE4BPDE4C
SCHEMBL4213585 0.78 CCR4 (0.44) HRH4HTR3APDE4APDE4BPDE4C
SCHEMBL4209461 0.75 HRH4 (0.42) HRH4HTR3APDE4APDE4BPDE4C
SCHEMBL4204592 0.74 CCR4 (0.41) HRH4HTR3APDE4APDE4BPDE4C
SCHEMBL4324026 0.72 CCR4 (0.42) HRH4HTR3ACCR4
SCHEMBL4205164 0.70 EPHX2 (0.43) CCR4
SCHEMBL4207782 0.69 EPHX2 (0.42) CCR4

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-20090182140-A1 Alicyclic Heterocyclic Compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-07-16 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-20090182140-A1 Alicyclic Heterocyclic Compound CCR4, CCR1, HRH4 HRH4 3/4885HTR3A 1927/4885PDE4A 600/4885

“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.