SCHEMBL13780315

SCHEMBL13780315

CCOC(=O)c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1NCc1ccc(Cl)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 8/20 0.46
ACHE P22303 2/20 0.45
PTPN11 Q06124 1/20 0.45
TP53 P04637 3/20 0.45
POLB P06746 3/20 0.45
NPSR1 Q6W5P4 4/20 0.44
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 2/20 0.44
LMNA P02545 2/20 0.44
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GAA P10253 1/20 0.44
DPP4 P27487 1/20 0.44
MAPT P10636 3/20 0.43
PPP1CA P62136 3/20 0.42
ALOX15 P16050 2/20 0.42
TSHR P16473 2/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
HSD17B10 Q99714 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
SCHEMBL13780316 0.90 PTPN11 (0.49) CCR4ACHEPTPN11ALDH1A1DPP4
SCHEMBL13780319 0.90 PTPN11 (0.49) CCR4ACHEPTPN11ALDH1A1DPP4
SCHEMBL13780301 0.86 DPP4 (0.45) CCR4ACHETP53POLBNPSR1
SCHEMBL20231885 0.76 PTPN11 (0.52) ACHEPTPN11NPSR1ALDH1A1MEN1
SCHEMBL25215112 0.75 PTPN11 (0.52) ACHEPTPN11NPSR1ALDH1A1MEN1
SCHEMBL25230495 0.75 GPR119 (0.48) ACHEPTPN11TP53NPSR1ALDH1A1
SCHEMBL30173612 0.75 GPR119 (0.48) ACHEPTPN11TP53NPSR1ALDH1A1
SCHEMBL21214820 0.75 CCR4 (0.47) CCR4
SCHEMBL13780291 0.75 TDP1 (0.62) POLBNPSR1ALDH1A1MEN1LMNA
SCHEMBL31167706 0.74 MAPT (0.50) TP53POLBNPSR1ALDH1A1MEN1

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 1/4885ACHE 3091/4885PTPN11 451/4885

“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.