SCHEMBL13780258

SCHEMBL13780258

Clc1ccc(CNc2nc(N3CCNCC3)nc3ccsc23)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.52
PDE4A P27815 1/20 0.51
PDE4B Q07343 1/20 0.51
PDE4C Q08493 1/20 0.51
PDE4D Q08499 1/20 0.51
HRH4 Q9H3N8 11/20 0.47
ROCK2 O75116 2/20 0.47
HRH1 P35367 1/20 0.46
HTR3A P46098 2/20 0.44
CCR4 P51679 2/20 0.43
HTR2A P28223 1/20 0.42
KDM4E B2RXH2 1/20 0.41
S1PR2 O95136 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
HIF1A Q16665 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL13780235 0.81 CCR4 (0.44) HTR2CPDE4APDE4BPDE4CPDE4D
SCHEMBL13780279 0.81 CCR4 (0.44) HTR2CPDE4APDE4BPDE4CPDE4D
SCHEMBL4208839 0.79 PDE4A (0.41) HTR2CPDE4APDE4BPDE4CPDE4D
SCHEMBL13780220 0.79 HRH4 (0.43) HRH4HRH1HTR3ACCR4HTR2A
SCHEMBL13780228 0.78 CCR4 (0.41) HTR2CPDE4APDE4BPDE4CPDE4D
SCHEMBL4204698 0.77 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DHRH4
SCHEMBL16258707 0.76 CCR4 (0.55) CCR4
SCHEMBL16258705 0.75 CCR4 (0.67) PDE4APDE4BPDE4CPDE4DHRH4
SCHEMBL13780238 0.74 CCR4 (0.53) PDE4APDE4BPDE4CPDE4DHRH4
SCHEMBL4211641 0.74 HRH4 (0.43) PDE4APDE4BPDE4CPDE4DHRH4

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 3 patents. 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
US-20090182140-A1 Alicyclic Heterocyclic Compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-07-16 US disclosed
EP-1970373-A1 ALICYCLIC HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2008-09-17 EP 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 HTR2C 564/4885PDE4A 600/4885PDE4B 504/4885

“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.