SCHEMBL13780221

SCHEMBL13780221

Cn1ccc2nc(N3CCN(C(=O)[C@H]4CCC(=O)N4)CC3)nc(NCc3ccc(Cl)cc3Cl)c21

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 16/20 0.51
EPHX2 P34913 1/20 0.39
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PDE9A O76083 1/20 0.37
HRH4 Q9H3N8 1/20 0.37

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
SCHEMBL13780220 0.79 HRH4 (0.43) CCR4KDM4ELMNANPSR1HRH4
SCHEMBL13780217 0.77 CCR4 (0.67) CCR4
SCHEMBL31555720 0.72 CCR4 (0.41) CCR4KDM4ELMNAGAAMAPT
SCHEMBL31555765 0.72 CCR4 (0.41) CCR4KDM4ELMNAGAAMAPT
SCHEMBL26834842 0.71 CCR4 (0.42) CCR4KDM4ELMNAGAAMAPT
SCHEMBL4206499 0.71 PDE2A (0.42) CCR4LMNAHTTNPSR1PDE9A
SCHEMBL26835287 0.70 CCR4 (0.43) CCR4KDM4ELMNAGAAMAPT
SCHEMBL26831713 0.70 CCR4 (0.43) CCR4KDM4ELMNAGAAMAPT
SCHEMBL26611443 0.70 CCR4 (0.43) CCR4KDM4ELMNAGAAMAPT
SCHEMBL26831714 0.70 CCR4 (0.43) CCR4KDM4ELMNAGAAMAPT

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 CCR4 1/4885EPHX2 265/4885KDM4E 657/4885

“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.